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  • Solanum tuberosum L.
  • biological control
  • crystal structure
  • 2015-2019  (3)
  • 1995-1999  (914)
  • 1990-1994  (790)
  • 1940-1944
  • 1915-1919
  • 1
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    Unknown
    E. Schweizerbart’sche Verlagsbuchhandlung 70176 Stuttgart,Germany
    Publication Date: 2020-12-17
    Description: The new mineral sbacchiite (IMA 2017-097), Ca2AlF7, was found in a fossil fumarole (1944 eruption, T ! 80 !C) at the rim of the crater of the Vesuvius volcano, Napoli, Italy, associated with gearsksutite, usovite, creedite and opal. It forms elongated crystals up to about 60 lm in length. On the basis of powder X-ray diffraction data and chemical analysis, the mineral was recognized to be identical to the corresponding synthetic phase. Crystals are transparent or translucent and colourless, with vitreous lustre and white streak. The tenacity is brittle. The measured density is 3.08(2) g/cm3, the calculated density is 3.116 g/cm3. The empirical formula, (based on 10 atoms per formula unit, apfu) is Ca2.02Mg0.03Al0.99F6.97. Sbacchiite is orthorhombic, space group Pnma, with a = 7.665(2), b = 6.993(1), c = 9.566(2) Å, V = 512.2(2) Å3 and Z = 4. The eight strongest X-ray powder diffraction lines are [dobs Å(I)(hkl)]: 3.840(45)(200), 3.563(85)(201), 3.499(100)(020), 2.899(55)(013), 2.750(30)(212), 2.281(20)(104), 2.255(52)(302) and 2.173(36)(131). The structure was refined to R = 0.0479 for 457 reflections with I 〉 2r(I). The asymmetric unit contains one Al3+ and two independent Ca2+ cations and five fluorine anions. Aluminium is octahedrally coordinated by six fluorine atoms; the arrangement of F around the 7-coordinated Ca(1) conforms to a distorted pentagonal bipyramid and that around Ca(2) to a very distorted polyhedron (in 7 + 1 coordination). All the fluorine atoms are threefold coordinated. The structure framework shows ‘‘isolated’’ [AlF6] octahedra, whereas the coordination polyhedra around Ca are linked by common edges [sequence: Ca(1)–Ca(2)– Ca(1). . .] along [010] and the same holds for the connection along [001]. Along [100], however, only the pentagonal bipyramids around Ca(1) are connected by bridging corners.
    Description: Published
    Description: 153-158
    Description: 3V. Proprietà dei magmi e dei prodotti vulcanici
    Description: JCR Journal
    Keywords: sbacchiite ; new mineral ; calcium aluminium fluoride ; crystal structure ; fumarole ; vesuvius volcano ; 04.04.05
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
    Type: article
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  • 2
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    International Union of Crystallography (IUC)
    Publication Date: 2015-08-07
    Description: In the title compound, C12H12N2O2, the dihedral angle between the planes of the two pyridine rings is 5.8 (1)°. Neighbouring molecules are linked via C(Me)—H...N interactions, generating a two-dimensional sheet structure; C—H...π interactions further link the molecules into a three-dimensional network. An overlapped arrangement of parallel pyridine rings in neighbouring molecules [centroid-to-centroid distance = 3.6655 (15) Å] is observed in the crystal structure.
    Keywords: crystal structure
    Electronic ISSN: 1600-5368
    Topics: Chemistry and Pharmacology , Geosciences
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  • 3
    Publication Date: 2015-06-14
    Description: In the crystal, molecules of the centrosymmetric title compound, C12H4Br2F4N2, are linked into strands along [011] by weak C—H...F contacts. Furthermore, the molecules are π–π stacked with perpendicular ring distances of 3.4530 (9) Å.
    Keywords: crystal structure
    Electronic ISSN: 1600-5368
    Topics: Chemistry and Pharmacology , Geosciences
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  • 4
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    In:  Zoologische Mededelingen (00240672) vol.73, 1-10 (1999) p.131
    Publication Date: 2007-01-23
    Description: The species of Encarsia Foerster (Hymenoptera: Aphelinidae) known from Egypt are revised. A total of 14 species are treated, including one new species. E. indifferentis Mercet, 1929, is synonymised with E. inaron (Walker, 1839). All species are fully described or diagnosed, and illustrated. Host records, and species-distributions outside Egypt, are given.
    Keywords: Egypt ; Encarsia ; Aleyrodidae ; Aphelinidae ; Diaspididae ; parasitoids ; biological control ; natural enemies ; 42.75
    Repository Name: National Museum of Natural History, Netherlands
    Type: Article / Letter to the editor
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  • 5
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    In:  Zoologische Mededelingen vol. 73, 1-10, pp. 131-163
    Publication Date: 2024-01-12
    Description: The species of Encarsia Foerster (Hymenoptera: Aphelinidae) known from Egypt are revised. A total of 14 species are treated, including one new species. E. indifferentis Mercet, 1929, is synonymised with E. inaron (Walker, 1839). All species are fully described or diagnosed, and illustrated. Host records, and species-distributions outside Egypt, are given.
    Keywords: Egypt ; Encarsia ; Aleyrodidae ; Aphelinidae ; Diaspididae ; parasitoids ; biological control ; natural enemies
    Repository Name: National Museum of Natural History, Netherlands
    Type: info:eu-repo/semantics/article
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  • 6
    ISSN: 1570-7458
    Keywords: host suitability ; acceptance ; biological control ; new associations ; Lepidoptera ; Pyralidae ; New World ; Old World ; stemborers ; Braconidae ; larval parasitoids ; Gramineae
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract The present study examined the acceptability and suitability of Old World stemborers (Chilo partellus and C. orichalcociliellus) for the development of New World parasitoids (Apanteles deplanatus and A. minator) and New World stemborers (Diatraea saccharalis and D. grandiosella) for the development of Old World parasitoids (Cotesia sesamiae, C. flavipes and C. chilonis). Results revealed that acceptance and suitability were high in old associations. In new associations, parasitoids accepted about 60% of the new association hosts. In addition, 10 out of 17 new associations were successful. Apanteles species appeared to be more physiologically host specific than Cotesia species. For example, two of four new association hosts were accepted by A. deplanatus and only one (D. saccharalis) was partially suitable for progeny development. Among the Cotesia species, Cotesia flavipes appeared to have a wider host range than the two other species. It attacked all hosts offered and successfully parasitized all but one (D. grandiosella). Diatraea saccharalis was accepted and was a suitable host for the development of all parasitoid species tested, whereas D. grandiosella was unsuitable for the development of four out of five parasitoid species tested. No clear pattern was observed as behavioral acceptance did not always agree with the pattern of physiological suitability. Implications of these findings for importation biological control of stemborers are discussed.
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  • 7
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    Entomologia experimentalis et applicata 91 (1999), S. 327-336 
    ISSN: 1570-7458
    Keywords: biological control ; in vitro rearing ; rearing techniques ; host selection
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract An artificial host egg was developed as a first attempt to improve the techniques for in vitro rearing of Trichogramma galloi Zucchi and T. pretiosum Riley (Hymenoptera, Trichogrammatidae). Plastic membranes (polyethylene, polypropylene and polystyrene) of different thickness were tested for their usefulness in manufacturing artificial eggs, using a thermal system to produce semi-spherical cupules on the plastic surface. These artificial eggs were filled with larval hemolymph of Helicoverpa zea (Boddie) (Lepidoptera, Noctuidae), and the optimal size of the artificial egg and density of females/artificial egg for the highest host acceptance (percentage of artificial eggs with at least one parasitoid egg) as well as the ideal level of parasitism (eggs/artificial egg) were determined. High-density polyethylene 7–8 and 9–10 μm thick resulted in the best acceptance and level of parasitization for both parasitoid species. Six females per artificial egg resulted in the best rate of parasitization for these parasitoids, although these data were not different when using 4 or 5 females of T. galloi. The size, shape and surface texture of the artificial eggs were found to provide enough cues to elicit parasitization behavior in Trichogramma females, since no chemical stimulus was provided.
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  • 8
    ISSN: 1570-7458
    Keywords: Trichogramma spp. ; Helicoverpa armigera ; Chrysoperla carnea ; Portugal ; parasitism ; biological control ; non-target species
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract Parasitism of two host species by five Trichogramma species (Hymenoptera, Trichogrammatidae) was studied in the laboratory. The host species were: i) the bollworm Helicoverpa armigera Hübner (Lepidoptera, Noctuidae), an important pest of many crops in the tropics and subtropics, and ii) one of its natural enemies, the lacewing Chrysoperla carnea Stephens (Neuroptera, Chrysopidae), a predator often used as a biological control agent. The proportion of H. armigera eggs parasitized from the total number of parasitized hosts differed between Trichogramma species. The average number of parasitized eggs per female in 24 h by Trichogramma pintoi and T. bourarachae was 10 of H. armigera and about 0.5 of C. carnea. For the other three Trichogramma species (T. cordubensis, T. evanescens and T. turkestanica) these averages varied from 6 to 11 H. armigera eggs and from 3 to 4 C. carnea eggs. Total adult offspring production, contacts with hosts, secondary clutch size and sex-ratio of each Trichogramma species were determined as well. The results show that sympatric Trichogramma may parasitize target and non-target species in different proportions. If this difference corresponds to the field situation, simple laboratory tests could be performed to select not only efficient biogical control agents, but also species which are the least detrimental to non-target hosts.
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  • 9
    ISSN: 1570-7458
    Keywords: host feeding ; host paralysis ; oviposition ; pre-oviposition phase ; Hypothenemus hampei ; Scolytidae ; biological control
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract The effect of the density of the coffee berry borer, Hypothenemus hampei (Coleoptera: Scolytidae) on reproductive and host-feeding behaviours of the parasitoid Cephalonomia stephanoderis (Hymenoptera: Bethylidae) was evaluated under laboratory conditions. The number of hosts used for oviposition was density-dependent at low host density. Beyond a density of six hosts/day, the oviposition rate reached a maximum of 1.2 eggs/day due to egg limitation. Cephalonomia stephanoderis females responded to increasing host availability with a linear increase in host feeding. Overall, parasitoids killed more coffee berry borers by feeding and paralysis than by parasitism. At low host density, the pre-oviposition phase was extended, oogenesis was delayed, more males were produced, and host feeding occasionally occurred concurrently with oviposition. We suggest that the efficacy of C. stephanoderis as a biological control agent depends on seasonal variations in host density. Inoculative vs inundative releases in coffee plantations are discussed in relation to the abundance of the coffee berry borer during the fructification and interharvest periods.
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  • 10
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    Entomologia experimentalis et applicata 91 (1999), S. 449-457 
    ISSN: 1570-7458
    Keywords: Schizaphis graminum ; Aphelinus asychis ; aphid ; parasitoid ; natural enemy ; biological control ; greenbug ; host selection ; plant volatile
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract Aphelinus asychis (Walker) can be valuable as a biocontrol agent of the aphid, Schizaphis graminum (Rondani), a major pest on grain crops in the United States. This study reports the wind tunnel, and olfactometric responses of this parasitoid to the host (aphid), plant (sorghum), and host-plant complex (aphid-infested sorghum). In addition, the parasitoids' response to malathion-treated plants is also presented. The goal of the present study was to test the hypothesis that volatiles associated with the host attract natural enemies, as reported in cases of many hymenopterous parasitoids, and also to learn about the effects of insecticides on these parasitoids. In wind tunnel studies, these parasitoids moved upwind in the direction of the host-infested plant. There was no direct flight observed, however, these parasitoids were observed to hop and jump, and sometimes walk to their host. In the olfactometer experiments, we found that A. asychis is attracted to host-plant complex. The parasitoids' response to malathion in the olfactometer suggested that a malathion formulation when applied to plants can lure these beneficials, thus providing new insight into the ongoing task of integrating chemical and biological control of insect pests.
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  • 11
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    Entomologia experimentalis et applicata 93 (1999), S. 267-273 
    ISSN: 1570-7458
    Keywords: Macrolophus caliginosus ; mirid bug ; life table ; longevity ; fecundity ; development time ; mortality ; sex ratio ; oviposition period ; intrinsic rate of increase ; spider mite ; Tetranychus urticae ; tomato ; biological control ; glasshouse pests
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract The life table characteristics of the polyphagous mirid Macrolophus caliginosus Wagner (Heteroptera: Miridae) preying on various stages of Tetranychus urticae Koch (Acari: Tetranychidae) with tomato as host plant were described at 22 °C. The following average parameters were obtained: Female longevity: 28.7 days; fecundity: 0.7 eggs/female/day; egg mortality: 2.6%; pre-oviposition period: 5.5 days; oviposition period: 18.1 days; post-oviposition period: 3.2 days; juvenile development time: 26.8 days; juvenile mortality: 34.9%; and sex ratio (♀/(♀+♂): 0.46. Life table parameters were estimated as net reproduction rate (R 0): 6.15; intrinsic rate of increase (r m): 0.031 day−1; finite rate of increase (λ): 1.032; mean generation time (T c): 58.17 days; and doubling time (T 2) 22.2 days. The parameters obtained were in accordance with those reported for M. caliginosus fed on another mite species (T. turkestani Ugarov & Nikolski (Acari: Tetranychidae)). However, compared to the performance of M. caliginosus fed on common glasshouse insect pests, a diet consisting of only mites appeared to be inferior. However, being a voracious predator, M. caliginosus may be a valuable addition to existing methods of mite control.
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  • 12
    ISSN: 1570-7458
    Keywords: biological control ; food web interactions ; volatiles ; Phytoseiidae ; predatory bugs ; thrips ; predator-predator interactions
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract Arthropods use odours associated with the presence of their food, enemies and competitors when searching for patches. Responses to these odours therefore determine the spatial distribution of animals, and are decisive for the occurrence and strength of interactions among species. Therefore, a logical first step in studying food web interactions is the analysis of behaviour of individuals that are searching for patches of food. We followed this approach when studying interactions in an artificial food web occurring on greenhouse cucumber in the Netherlands. In an earlier paper we found that one of the predators of the food web, the predatory mite Phytoseiulus persimilis Athias-Henriot, used to control spider mites, discriminates between odours from plants with spider mites, Tetranychus urticae Koch, and plants with spider mites plus conspecific predators. The odours used for discrimination are produced by adult prey in response to the presence of predators, and probably serve as an alarm pheromone to warn related spider mites. Other predator species may also trigger production of this alarm pheromone, which P. persimilis could use in turn to avoid plants with heterospecific predators. We therefore studied the response of the latter to odours from plants with spider mites and 3 other predator species, i.e. the generalist predatory bug Orius laevigatus (Fieber), the polyphagous thrips Frankliniella occidentalis and the spider-mite predator Neoseiulus californicus (McGregor). Both olfactometer and greenhouse release experiments yielded no evidence that P. persimilis avoids plants with any of the 3 heterospecific predators. This suggests that these predators do not elicit production of alarm pheromones in spider mites, and we argue that this is caused by a lack of coevolutionary history. The consequences of the lack of avoidance of heterospecific predators for interactions in food webs and biological control are discussed.
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  • 13
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    Entomologia experimentalis et applicata 93 (1999), S. 51-61 
    ISSN: 1570-7458
    Keywords: Metarhizium anisopliae ; Atta sexdens rubropilosa ; leaf-cutting ants ; biological control ; social homeostasis ; entomopathogenic fungus
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract There is growing interest in the use of entomopathogenic organisms to control leaf-cutting ants (Hymenoptera: Formicidae: Attini). However, the way leaf-cutting ants react as a colony to biohazards is poorly understood. We investigated the effects of Metarhizium anisopliae (Metschnikoff) (Deuteromycotina: Hyphomycetes) applied to the foraging arenas of mini-nests (queenless sub-colonies) of the leaf-cutting ant Atta sexdens rubropilosa (Forel). Dry spores were applied either alone or mixed with citrus powder, at 0.5 g or 0.05 g per mini-nest. The spores were removed four days after application, and all dead ants removed every three days. Ant numbers near the Metarhizium increased as the ants attempted to clean up the biohazard. The ants attempted to place the spores in piles, which they then covered over with other material. They were able to deal with the low doses in this way, but the high doses overwhelmed them. All treated mini-nests suffered increased ant mortality during the first ten days after application. This mortality was particularly high in the media worker caste which had played the major role in attempting to clean up the spores. Foraging activity decreased, as did the health of the fungus gardens. The mini-nests exposed to the low dose of spores mixed with citrus powder then recovered fully. The health of the other treated mini-nests declined gradually until around 26 days after application, when they began deteriorating sharply. However, the decline of these mini-nests after day 26 was not due directly to the pathogenic action of the Metarhizium, nor to the initial ant mortality it had caused. The results suggest that the social stress caused by even such a short-lived Metarhizium epizootic was sufficient to cause the decline and ultimate death of the mini-nests. This has important implications for the control of leaf-cutting ants. It also demonstrates how important the social homeostasis of the colony is to leaf-cutting ants.
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  • 14
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    Entomologia experimentalis et applicata 90 (1999), S. 103-107 
    ISSN: 1570-7458
    Keywords: learning ; Orius majusculus (Reuter) ; Heteroptera ; Anthocoridae ; predator ; biological control
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
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  • 15
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    Entomologia experimentalis et applicata 90 (1999), S. 183-189 
    ISSN: 1570-7458
    Keywords: Hymenoptera ; Aphelinidae ; Platygasteridae ; Hemiptera ; Aleyrodidae ; whiteflies ; Bemisia ; Amitus bennetti ; parasitoid ; biological control ; life history ; instar preference ; oviposition behaviour
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract Amitus bennetti Viggiani & Evans (Hymenoptera: Platygasteridae) is a recently described parasitoid of the silverleaf whitefly, Bemisia argentifolii Bellows & Perring (Homoptera: Aleyrodidae). Behaviour and life history of the parasitoid are described. The first nymphal instar of B. argentifolii is preferred by the parasitoid, but the 1st through 4th instar may be parasitised. Females first investigate hosts with their antennae, then walk over the host, and eventually step with their front legs on the leaf and insert their ovipositor inside the host facing away from the host, while the hind legs are still on the host. The time from encounter to oviposition (=latency to oviposition) is shortest on the 1st instar. Oviposition duration (mean=39 s) comprises 50% of the handling time. Development time from egg to adult decreases from 72 days at 15 °C to 42 days at 20 °C to 28 days at 25 °C. We estimate that 400 degree days is required for development, with a development threshold of 10 °C. Adult longevity in the absence of hosts was 29, 26 and 19 days and with hosts present 8, 8 and 5 days at 15, 20 and 25 °C, respectively. Amitus bennetti is proovigenic and oviposits most eggs shortly after adult emergence. During the first day of their adult lives females laid 1, 31 and 49 eggs at 15, 20 and 25 °C, respectively. Compared with other parasitoid species, the development time of A. bennetti is very long, and the implications of this for management of B. argentifolii are discussed.
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  • 16
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    Entomologia experimentalis et applicata 93 (1999), S. 77-86 
    ISSN: 1570-7458
    Keywords: Acari ; behaviour ; biological control ; Gerbera jamesonii ; herbivore induced synomones ; infochemicals ; indirect defence ; Phytoseiidae ; semiochemicals ; terpenoids ; Tetranychus urticae
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract Jasmonic acid (JA) is a plant hormone that is involved in the induction of plant defence in response to herbivore attack. We studied the effect of exposure of gerbera leaves to JA on indirect plant defence, i.e. attraction of natural enemies of herbivores. Treatment of gerbera leaves with JA or feeding damage by the herbivorous spider mite Tetranychus urticae, both induced the production of a complex odour blend that attracts the predatory mite Phytoseiulus persimilis. This phytoseiid predator is a very effective biological control agent of the spider mite T. urticae. Comparison of headspace composition of gerbera leaves exposed to either JA or T. urticae revealed a large degree of resemblance, but some quantitative and qualitative differences were recorded. The major chemical group in both treatments is formed by the terpenoids which quantitatively comprised up to 80% of the total odour blend. These terpenoids included (E)-4,8-dimethyl-1,3,7-nonatriene, (E)-β-ocimene and linalool that are known to attract P. persimilis. Aldehydes, alcohols, esters and ketones, together with nitrogenous compounds formed the remaining constituents of the odour blend. The induction of predator attractants in plants by JA may be applied in biological control programs, which is discussed in this paper.
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  • 17
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    Journal of chemical crystallography 29 (1999), S. 203-206 
    ISSN: 1572-8854
    Keywords: Manganese(III) ; Schiff base ; hydrogen bonding ; crystal structure ; Jahn-Teller distortion
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The manganese complex, (Mn2(III)(salpa)2Cl2(H2O)2], has been prepared and its structure determined using x-ray crystallography. The dimer is a di-μ2-alkoxo complex which is a six-coordinate manganese dimer with unsupported alkoxide bridges and a rare example of a chloride- and water-containing manganese dimer. The complex crystallizes in the monoclinic space group P21/c with a = 9.315(5), b = 11.130(4), c = 11.637(5) Å, β = 104.33(3)°, V = 1169.0(9) Å3, and Z = 2. The structure comprises discrete binuclear clusters in which the metal atoms are bridged by two alkoxo oxygens of the salpa2− ligands. The Mn—O and Mn—N distances are in good agreement with those found for other manganese(III) Schiff base complexes. The Mn—Cl and Mn—O3 distances are 2.585(2) and 2.371(2) Å, respectively, and the Mn ··· Mn distance is 3.001(1) Å. In the crystal, there are two types of hydrogen bonding between the H2O molecule and the Cl atom with Cl ··· H(H2O) distance of 2.33(6) (intramolecule: −1 + x, y, −1 + z) and 2.68(6) Å (intermolecule: −1 + x, 0.5−y, −0.5 + z).
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  • 18
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    Journal of chemical crystallography 29 (1999), S. 243-246 
    ISSN: 1572-8854
    Keywords: Thorium ; dimethoxyethane ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The molecular structure of ThBr4(DME)2 (DME = 1,2-dimethoxyethane), the first structurally characterized thorium complex containing a simple bidentate ether ligand, is described. The eight-coordinate complex presents a distorted dodecahedral geometry, with Th—Br and Th—O bond lengths in the ranges 2.8516(13)–2.8712(13) Å and 2.564(8)–2.620(8) Å, respectively. ThBr4(DME)2 is monoclinic, space group P21/n, a = 7.672(1), b = 14.581(1), c = 15.847(2) Å, β = 102.24(1)°, V = 1732.4(3) Å3, and Z = 4.
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  • 19
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    Journal of chemical crystallography 29 (1999), S. 295-298 
    ISSN: 1572-8854
    Keywords: Copper ; crystal structure ; synthesis ; Schiff base ligand
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title complex Cu(C8H7O2N)2(OH2) crystallized in the orthorhombic space group, Pbca with unit cell parameters: a = 15.242(2), b = 11.782(4), c = 17.946(4) Å, and Z = 8. Two nitrogen atoms, two phenolic oxygen atoms of the ligand, and one water molecule are coordinated with copper to form a distorted tetragonal pyramidal polyhedron.
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  • 20
    ISSN: 1572-8854
    Keywords: Europium ; terbium ; betaine ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Three dimeric lanthanide(III) complexes, [Eu2(bet)8(H2O)4](CIO4)6 (1), [Tb2(bet)8(H2O)4](ClO4)6 (2), and [Eu2(bet)4(H2O)8] Cl6·6H2O (3) (bet = Me3N+CH2COO−, trimethyl-aminoacetate), have been prepared and structurally characterized by X-ray crystallography. Complex 1 crystallizes in the monoclinic space group P21/c, with a = 11.7807(8), b = 27.757(5), c = 11.7980(8) Å, β = 99.500(4)°, V = 3805.1(8) Å3, and Z = 2. Complex 2 is isomorphous to complex 1, crystallizing in the monoclinic space group P21/c, with a = 11.7769(14), b = 27.725(3), c = 11.795(5) Å, β = 99.668(14)°, V = 3797(2) Å3, and Z = 2. Complex 3 crystallizes in the orthorhombic space group Pbca, with a = 12.5664(8), b = 17.8645(9), c = 22.2573(8) Å, V = 4996.6(4) Å3 and Z = 4. Both complexes 1 and 2 comprise quadruply carboxylate-O,O′-bridged [M2(bet)4]6+ dimeric cores (M = Eu, Tb), and each metal ion is further coordinated by two terminal aqua ligands and two monodentate bet carboxylates to form a distorted square-antiprismatic coordination geometry. Complex 3 also has a [Eu2(bet)4]6+ core, in which two bet ligands act in the η1:η1:μ2 bridging fashion, and the other two bet ligands in the less common η2:η1:μ2 bridging fashion, namely bridging-chelate mode. Each europium(III) ion in complex 3 is further coordinated by four water molecules to complete a monocapped square antiprism.
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  • 21
    ISSN: 1572-8854
    Keywords: crystal structure ; copper(II) complexes ; dinuclear complexes
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A chemical Janus, binuclear copper(II) complexes, {[Cu(TPA)Cl][Cu(BPA)Cl]}(ClO4)2 (TPA = Tris(2-pyridylmethyl) amine, BPA = bis-(2-pyridylmethyl)amine) containing two different ligands has been synthesized and characterized by X-ray single crystal analysis. Crystal data: triclinic, space group P1$sm, a = 12.529(3), b = 12.655(3), c = 13.458(3) Å, α = 70.48(3), β = 67.40(3), γ = 75.81(3)°, D x = 1.648 mg m−3, and Z = 2. The molecular structure shows that the binuclear copper complex consists of two positive cation and two perchlorate anions. The positive cations moieties have different ligands. Cu(1) is coordinated by four nitrogen atoms from TPA and one chloride atom, forming a square-pyramidal geometry, whereas the coordinate number of Cu(2) is four, three of which are from BPA, one from chloride. There are two weak bonds between the Cl(2a) ion and the Cu(2) ion (2.844 Å) and the distance of Cu(2)=O(13) is 2.750(9) Å.
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  • 22
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    Journal of chemical crystallography 29 (1999), S. 513-521 
    ISSN: 1572-8854
    Keywords: nanotechnology ; molecular devices ; triptycene ; crown ether ; crystal structure ; thallium
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The incorporation of 9,10-triptycene unit in a crown ether is examined from a structural perspective. Insertion of a triptycene group into 18-crown-6 stretches the crown into an ellipse, as seen in structures presented here of 9,10-triptyceno-22-crown-6 and its thallium complex. Symmetric addition of two triptycene groups into 18-crown-6 results in the sterically congested bis(9,10-triptyceno)-26-crown-6, whose crown cavity is filled with the π-clouds of two arene groups. The larger bis(9,10-triptyceno)-32-crown-8 is more sterically relaxed. The structures of these bis(triptyceno)crown ether molecules are the first with two triptycene groups simultaneously linked through their 9 and 10 positions, thereby forming a simple molecular gearing mechanism. The compound 9,10-triptyceno-22-crown-6 (1) crystallizes in the orthorhombic space group Pbca with a = 10.7962(7), b = 15.826(3), c = 31.147(5) Å, V = 5321.8(12) Å3, and Z = 8; its complex with TlNO3 (Tl-1) crystallizes in the monoclinic space group P21/c with a = 8.1884(14), b = 19.552(2), c = 20.575(4) Å, β = 97.062(8)°, V = 3269.2(9) Å3, and Z = 4; bis(9,10-triptyceno)-26-crown-6 (2) crystallizes in the triclinic space group P $$\bar 1$$ with a = 8.6488(11), b = 10.7718(12), c = 12.3324(12) Å, α = 111.58(1), β = 100.55(1), γ = 106.43(1)°, V = 970.3(5) Å3, and Z = 1; and bis(9,10-triptyceno)-32-crown-8 (3) crystallizes in the orthorhombic space group Pna21 with a = 20.186(3), b = 8.558(2), c = 25.623(2) Å, V = 4426.2(14) Å3, and Z = 4.
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  • 23
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    Journal of chemical crystallography 29 (1999), S. 555-560 
    ISSN: 1572-8854
    Keywords: alkylammonium chloroantimonates(III) ; hydrogen bonds ; disorder ; lone electron pair ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structure of [(CH3)3NH]2Sb3Cl11 (space group P21/n; a = 10.374(2), b = 23.723(5), c = 11.884(2) Å, β = 113.46(3)°; V = 2682.9(9) Å3) consists of a structurally novel [Sb3Cl2− 11] anion and two crystallographically nonequivalent trimethylammonium cations. The anion is composed of three deformed octahedra in the asymmetric part of the unit cell. The octahedra are connected with each other by edges and corners forming a characteristic polyanionic layer. Trimethylammonium cations, one ordered and one disordered, are connected to the inorganic sublattice by N—H· · ·Cl hydrogen bonds.
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  • 24
    ISSN: 1572-8854
    Keywords: crystal structure ; complexes ; pteridine ; lumazine
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Single-crystal X-ray diffraction studies have been performed on the complex cis-diaqua-bis(1,3-dimethylpteridine-2,4(1H,3H)-dione-O4,N5) copper(II) perchlorate monohydrate, [Cu(DLM)2(H2O)2](ClO4)2 · H2O. This compound crystallizes in the orthorhombic system, P212121 space group, Z = 4 with a = 8.749(1) Å, b = 14.213(1) Å, c = 21.200(2) Å, and V = 2636.2(4) Å3. The metal ion is surrounded in octahedral geometry by two mutually quasi-perpendicular N5,O4-coordinated lumazine chelators with the O4 atoms trans and the N5 atoms cis. The polyhedron is completed by two cis-coordinated water molecules. The absolute configuration of the complex can be described, following Bailar's nomenclature, as the enantiomer Λ of the stereoisomer 4M. A three-dimensional hydrogen-bond network is defined by water molecules, perchlorate anions, and the O2 of the pteridine A.
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  • 25
    ISSN: 1572-8854
    Keywords: dodecanuclear heterobimetallic ; molybdenum-copper cluster ; cage ; μ6-S ; crystal structure
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    Topics: Geosciences , Physics
    Notes: Abstract The complex (Ph4P)2[Mo2S2O2(S2)(S4)] reacts with CuBr to give the dodecanuclear heterobimetallic Mo—Cu—S cage cluster: (Ph4P)2[{Mo2Cu2O2S2(S2)2}3(μ6-S)] (1), which crystallizes in the triclinic space group P1¯, a = 14.445(5), b = 15.396(5), c = 18.858(5) Å, α = 103.12(3), β = 101.93(2), γ = 113.92(3)°, and V = 3517(2) Å3 for Z = 2. The anion 1 can be described as a cage with S2− at the center binding to six Cu atoms; the cage has two big windows each composed of a puckered Cu3S6 9-membered ring.
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  • 26
    ISSN: 1572-8854
    Keywords: copper(II) complexes ; 2,6-diacetylpyridine derivative ; open-chain ligand ; crystal structure ; trigonal-bipyramidal geometry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound was obtained by a template synthesis from 2,6-diacetylpyridine, ethylhydrazinoacetate and CuCl2·2H2O (molar ratio 1:2:1, in methanol), and its structure has been determined by single-crystal X-ray diffraction: monoclinic space group P21/c, a = 13.906(5), b = 18.199(6), c = 16.641(6) Å, β = 107.18(3)°, and z = 4. The ligand was found to be tridentate in a trigonal-bipyramidal coordination geometry with two chloride ligands. There are two independent complex molecules, one of which is hydrogen bonded to the water of crystallization.
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  • 27
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    Journal of chemical crystallography 29 (1999), S. 629-633 
    ISSN: 1572-8854
    Keywords: heterometallic polymeric cluster ; polythiometalate ; synthesis ; crystal structure
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    Topics: Geosciences , Physics
    Notes: Abstract The complex (NH4)2 WS4 reacts with AgNO3 and La(NO3)3 · 6H2O in a mixture of DEF/DMF (DEF—N,N′-diethylformamide), to give a new heterometallic square-chain polythiometalate {[W4Ag5S16]2 · [La(DEF)2(DMF)6] · [La(DEF)4(DMF)4]}n (1). 1 crystallizes in the monoclinic space group P2/c, a = 19.5534(8), b = 16.9552(6), c = 22.3479(9) Å, β = 106.053(1)°, V = 7120.1(5) Å3, and Z = 2. The anion polymeric chain of 1 can be regarded as an octanuclear cyclic cluster of [W4Ag4S16]4− fragments linked through Ag+ ions. The polymeric chain is extended through the parallel edges of the square unit. The mean W—Ag distance is 2.963(16) Å. The La3+ cations are coordinated by different solvent molecules, the average La—O bond of these large trivalent cations is 2.47(1) Å.
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  • 28
    ISSN: 1572-8854
    Keywords: oxabicyclo[3.2.1]octadiene ; absolute configuration ; asymmetric synthesis ; crystal structure
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    Topics: Geosciences , Physics
    Notes: Abstract The compound under investigation crystallizes in the noncentrosymmetric orthorhombic space group P212121 with a = 7.9358(11), b = 11.0532(13), c = 29.2425(43) Å, volume = 2565.0(6) Å3, and Z = 4. The C23H34O8Si molecule contains three chiral centers (one of which is of known configuration, based upon an (R)-pantolactone auxillary group). We have determined the absolute configuration of this species (via the anomalous dispersion of Si relative to C and O) and show that it is consistent with the known configuration of the (R)-pantolactone moiety.
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  • 29
    ISSN: 1572-8854
    Keywords: oxabicyclo[3.2.1]octadiene ; absolute configuration ; asymmetric synthesis ; crystal structure
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    Topics: Geosciences , Physics
    Notes: Abstract The compound under investigation crystallizes in the noncentrosymmetric monoclinic space group P21 with a = 9.1798(23), b = 6.6606(18), c = 17.6591(41) Å, β = 94.342(20)° and Z = 2. The C20H30O6Si molecule contains three chiral centers (one of which is of known configuration, based upon an (R)-pantolactone auxiliary group). We have determined the absolute configuration of this species (via the anomalous dispersion of Si relative to C and O) and show that it is consistent with the known configuration of the (R)-pantolactone moiety
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  • 30
    ISSN: 1572-8854
    Keywords: 2,2′-biimidazole ; diester ; crystal structure
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    Notes: Abstract 1,1,′-Di(ethylpropionato)-2,2′-biimidazole, C16H22N4O4, crystallizes from ice-cold ethanol in the space group P $$\bar 1$$ , with a = 4.6742(9), b = 9.1119(13), c = 10.175(2) Å, α = 96.22(1), β = 96.29(2), γ = 97.53(1)°, and Z = 1. The molecule crystallizes with coplanar rings and the substituents assume a trans conformation with a center of inversion between the bridging carbon atoms.
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  • 31
    ISSN: 1572-8854
    Keywords: Hg coordination ; crystal structure ; organomercury derivatives
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    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of the title compound, Hg[S2P(OPri)2]2, has been determined by single-crystal X-ray diffraction. The compound crystallizes in the centrosymmetric P21/c space group with a = 11.800(1), b = 8.925(2), c = 22.167(2) Å, β = 94.988(7)°, and Z = 4. The same compound has been previously reported but the structure is described there in the space group C2/c. In both cases, one phosphorodithioate moiety acts as a chelating group and the other as a bridging group between neighboring mercury atoms (related to one another by the twofold screw axis), giving rise to an infinite polymer along the direction of the b axis. It turns out that in spite of the difference in space group symmetry, the structures are remarkable similar in that they are formed from infinite polymers of similar geometry. The coordination around the Hg ion shows, however, significant differences, mainly for the bridging Hg—S(4) bond length, which is 0.16 Å smaller than that previously reported.
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  • 32
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    Journal of chemical crystallography 29 (1999), S. 329-333 
    ISSN: 1572-8854
    Keywords: Carbene ; crystal structure
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    Notes: Abstract Base-promoted reaction of 11-methylenepentacyclo[5.4.0.02,6.03,10.05, 9]undecan-8-one (5) with diethyl diazomethylphosphonate when performed in the presence of excess cyclohexene, resulted in the formation of the corresponding cycloalkylidenecarbene, 6, which subsequently was trapped in situ to afford 8-methylene-11-(7′-bicyclo[4.1.0]heptylidene)pentacyclo-[5.4.0.02, 6.03, 10.05, 9]undecane (7, obtained in 44% yield as a mixture of exo, endo isomers). Subsequent reaction of 7 with dichlorocarbene (generated under phase transfer catalytic conditions) produced the corresponding mono- and di-:CCl2 adducts [i.e., 8 (64% yield) and 9 (5% yield), respectively]. The structure of 9 was established unequivocally via application of single crystal X-ray analysis: Triclinic, P1¯, a = 6.276(2), b = 8.700(2), c = 18.550(3) Å, α = 76.52(3), β = 87.59(3), γ = 70.88(4)° Z = 2; D calc 1.486 g cm−3.
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  • 33
    ISSN: 1572-8854
    Keywords: crystal structure ; manganese complex ; disubsituted oxamide ; addition compound
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structure of the addition compound, Mn(phen)3(PMoxdH2)(ClO4)2 was established by X-ray crystallography, where PMoxdH2 is N,N′-bi(2-pyridylmethyl)-oxamide. Six nitrogen atoms of the three 1,10-phenanthroline bind to the manganese ion and the oxygen atom of PMoxdH2 is uncoordinated. The addition compound crystallizes in the monoclinic space group C2/c, with lattice parameters a = 23.780(6), b = 11.948(5), c = 18.466(6) Å, β = 117.38(3)°, V = 4659(3) Å3, and Z = 4.
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  • 34
    ISSN: 1572-8854
    Keywords: pyrazolyl derivative ; substituted cyclopentane ; substituted cyclohexane ; crystal structure ; bidentate ligand
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    Topics: Geosciences , Physics
    Notes: Abstract The species 1,1-di(pyrazol-1-yl)cyclohexane, C12H16N4, crystallizes in the monoclinic space group P21/c with a = 8.340(2), b = 14.281(5), c = 10.153(3) Å, β = 106.86(2)°, and Z = 4. The cyclohexane moiety has the chair conformation. The congener, 1,1-di(pyrazol-1-yl)cyclopentane, C11H14N4, while not isomorphous, also crystallizes in space group P21/c with a = 14.350(2), b = 6.776(1), c = 11.043(2) Å, β = 100.68(1)°, and Z = 4. The cyclopentane ring has a conformation in which four carbon atoms are essentially coplanar, while the fifth (that with the two pyrazolyl substituents) lies 0.63 Å from this plane, resulting in a bend of 41.3° across the C(2)···C(5) vector. The hydrogen atoms in each structure were located directly and their coordinates refined.
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  • 35
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    Journal of chemical crystallography 29 (1999), S. 719-723 
    ISSN: 1572-8854
    Keywords: synthesis ; crystal structure ; independent molecules
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The x-ray crystal structure of 4,5-(cis-cyclohexylenedithio)-1,3-dithiole-2-one has been determined. Yellow block shaped crystals of C9H10OS4 crystallize in the space group P $${\bar 1}$$ with cell dimensions a = 8.872(4), b = 9.330(8), c = 14.333(12) Å, α = 95.23(7), β = 91.09(5), γ = 107.60(5)°, V = 1124.8(14) Å3, and Z = 4. This compound has two S---S contacts [3.574, 3.610 Å] shorter than 3.70 Å and the usual disordered ethylene moiety [C(3)—C(8)] of the six-membered ring is fixed by the cis-cyclohexylene subsitituent. This means that it may be a new precursor for conducting and strong near-IR absorbing nickel-dithiolenes. Also, it provides the first example of polymorphism of the dmit derivatives and contains two independent molecules I and II in the asymmetric unit.
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  • 36
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    Journal of chemical crystallography 29 (1999), S. 725-727 
    ISSN: 1572-8854
    Keywords: 2-thiouracil derivatives ; crystal structure ; S-methyl-thiouracil ; hydrogen bonding ; structural methylation and metallation effects
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract 2-S-Methylthiouracil crystallizes in the triclinic space group P $${\bar 1}$$ with unit cell dimensions a = 5.508(4), b = 7.175(3), c = 8.522(2) Å, α = 80.83(2), β = 80.43(3), γ = 76.86(3)°, and Z = 2. The molecule exists in the crystal in the lactam form and is essentially planar. The molecular packing consists of molecules linked in centrosymmetric hydrogen-bonded pairs. The effects of methylation and subsequent metallation on the 2-thiouracil structure are discussed.
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  • 37
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    Journal of chemical crystallography 29 (1999), S. 797-802 
    ISSN: 1572-8854
    Keywords: synthesis ; crystal structure ; Cu(I) complex ; μ-oxo-bis(2,9-dimethyl-1,10-phenanthroline) ; luminescence
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The synthesis and crystal structure of a luminescent dinuclear Cu(I) complex as the BF− 4 salt from toluene and methanol containing triphenylphosphine and μ-oxo-bis(2,9-dimethyl-1,10-phenanthroline) is described. The coordination geometry about the Cu(I) center is distorted tetrahedral. An unusual feature of the structure is a pseudo-inversion center located near the oxygen atom at approximately 0.51, 0.26, 0.25, such that all of the atoms except for the oxygen are related by a pseudo-inversion center to another atom in the same molecule, as well as by crystallographic inversion to the other molecule in the unit cell. The complex displays luminescence from an MLCT band in fluid solution and emission from both a metal-centered charge-transfer and intraligand (phenanthroline) state at 77K in a chloroform snow. Crystal data: triclinic, P $$\bar 1$$ , a = 15.163(2), b = 16.985(2), c = 18.731(2) Å, α = 106.458(9), β = 91.416(8), γ = 102.557(9)°, V = 4496(1) Å3, and Z = 2.
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  • 38
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    Journal of chemical crystallography 29 (1999), S. 729-733 
    ISSN: 1572-8854
    Keywords: crystal structure ; yttrium complexes ; isothiocyanate complexes ; octahedral coordination
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structural analysis of [(n-C4H9)4N]3[Y(NCS)6] (I) using single-crystal diffraction data and full-matrix least squares refinement has been carried out. The hexaisothiocyanate complex crystallizes in the centrosymmetric triclinic space group P $${\bar 1}$$ (No. 2) with unit cell constants of a = 12.431(1), b = 12.866(1), c = 22.750(2) Å, α = 90.78(1), β = 92.05(1), γ = 96.67(1)°, and Z = 2. The molecular unit consists of three separate cationic tetra-n-butylammonium groups and an independent hexakisisothiocyanatoyttrate anionic group in which the six thiocyanate ligands are octahedrally coordinated through the N atom to the Y central ion. Selected bond distances and angles are presented as well as the synthesis and peripheral studies of (I).
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  • 39
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    Journal of chemical crystallography 29 (1999), S. 793-796 
    ISSN: 1572-8854
    Keywords: copper complex ; crystal structure ; dibenzoylmethane complex
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    Topics: Geosciences , Physics
    Notes: Abstract Bis(dibenzoylmethane)copper Cu(dbm)2 has been synthesized and its structure determined by x-ray diffraction. It crystallizes in the monoclinic system, space group C2/c, with a = 25.936(3), b = 5.9806(8), c = 16.4908(16) Å, β = 114.998(8)°, Z = 4, and V = 2318.3(4) Å3. The Cu atom is located at a symmetry center and surrounded by four O atoms from two dbm molecules to form a plane square coordination environment. On the a–c plane the molecules are orderly arranged to result in a layered structure, and parallel to crystallographic b-axis they form a molecular column due to the effect of aromatic stacking.
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  • 40
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    Journal of chemical crystallography 29 (1999), S. 809-812 
    ISSN: 1572-8854
    Keywords: tungsten(II) ; dibromo ; carbonyl ; diphenylcyclohexylphosphine ; but-2-yne ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract [WBr2(Co)(PPh2Cy)2(η2-MeC2Me)]·CH2Cl2 (Cy = cyclohexyl) crystallizes in the monoclinic space group, P21/n, with a = 10.606(12), b = 23.11(3), c = 18.19(2) Å, β = 106.070(10) Dcalc = 1.610g cm−3 for Z = 4. The tungsten coordination geometry can best be considered as a distorted octahedron, with the but-2-yne ligand occupying one coordination site, which has a trans-Br(2) group. The equatorial plane is made up of trans-PPh2Cy groups, with the bromo and carbonyl ligands occupying the other two sites.
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  • 41
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    Journal of chemical crystallography 29 (1999), S. 837-839 
    ISSN: 1572-8854
    Keywords: acyclonucleoside analog ; 6-(phenyl selenyl) uracil derivative ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The compound, 1-(ethoxymethyl)-6-(phenylselenyl)-5-ethyl uracil, crystallizes in the monoclinic space group P21/n with unit cell parameters a = 5.304(1), b = 21.261(4), c = 13.996(4) Å, β = 94.30(2)°, and Z = 4. The acyclic chain C1′, O4′, C4′, C5′ is in fully extended form and nearly perpendicular to the uracil base. The molecules are held together by van der Waal's forces.
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  • 42
    ISSN: 1572-8854
    Keywords: mercury halides ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The synthesis, characterization and single crystal X-ray structure of three compounds of general formula HgI2R (R = phen[1], dmph [2] and bpy[3]) are presented. The crystal data for the three compounds are: [1], triclinic, space group P $$\bar 1$$ (#2) a = 7.902(2), b = 9.479(2), c = 10.002(2) Å, α = 91.45(2), β = 111.34(2), γ = 100.82(2)° [2]: monoclinic, space group C2/c (#15) a = 15.670(3), b = 11.640(2), c = 9.730(2) Å, β = 114.57(3)° [3]: triclinic, space group P1¯ (#2) a = 9.472(1), b = 9.507(1), c = 9.023(1) Å, α = 98.46(1), β = 102.89(1), γ = 119.62(1)°. Compounds [1] and [2] are monomers, with highly distorted tetrahedral environments around Hg. In [3], instead, there is a significant intermolecular I···Hg interaction leading to the formation of softly bound dimers linking two pentacoordinated cations. The structure is compared with related ones in the literature.
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  • 43
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    Journal of chemical crystallography 29 (1999), S. 907-911 
    ISSN: 1572-8854
    Keywords: tungsten(II) ; Iodo ; carbonyl ; cis-bis(diphenylphosphino)ethene ; but-2-yne ; cationic ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The complex [WI(CO)(cis-dppen)(η2-MeC2Me)2]I·CH2Cl2(1) is prepared as a by-product from the reaction of equimolar quantities of [WI2(CO)(NCMe)(η2-MeC2Me)2] and cisdppen {dppen = bis(diphenylphosphino)ethene}. Complex 1, [WI(CO)(cis-dppen)(η2-MeC2Me)2]I·CH2Cl2 crystallizes in the triclinic space group $${\text{P}}\bar 1$$ with a = 11.189(13), b = 12.331(14), c = 15.395(17) Å, α = 83.61(1), β = 86.06(1), γ = 64.48(1)°, U = 1904 Å3, and Z = 2. The metal environment in the cation can best be considered as a distorted octahedron with the two but-2-yne groups taking up individual sites trans to phosphorus atoms of the dppen ligand. The coordination sphere is completed by mutually trans-carbonyl and iodide groups.
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  • 44
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    Journal of chemical crystallography 29 (1999), S. 955-959 
    ISSN: 1572-8854
    Keywords: crystal structure ; intramolecular hydrogen bond ; 4-(1,4-dimethoxy-2-naphthyl)-4-hydroxycyclohexanone
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    Notes: Abstract Intramolecular hydrogen bonding in the solid state is reported for the title compound and its ethylene ketal. The title compound crystallizes in the triclinic space group, $$P\bar 1$$ with a = 9.590(3), b = 9.620(3), c = 9.844(2) Å, α = 97.67(2), β = 105.25(2), γ = 115.47(2), and Z = 2. The ethylene ketal crystallizes in the monoclinic space group, P21/c, with a = 7.230(2), b = 22.639(3), c = 10.839(2) Å, β = 101.47(2), and Z = 4. The intramolecular hydrogen bond length of 1.79 Å is the same for the ketone and ketal, but the O—H---O valence angle is 144° for the ketone and 165° for the ketal.
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  • 45
    ISSN: 1572-8854
    Keywords: neotame ; crystal structure ; methanol solvate ; thermal analysis ; powder X-ray diffractometry ; 13C solid-state nuclear magnetic resonance spectroscopy
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    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of the methanol solvate (empirical formula: 2C20H30N2O5·3CH3OH) of a new dipeptide sweetener, neotame (N-(3,3-dimethylbutyl)-L-α-aspartyl-L-phenylalanine 1-methyl ester), has been determined. Crystal data: a = 9.8989(1), b = 18.1331(1), c = 27.5725(1) Å, orthorhombic, space group P212121, with Z = 4. Each unit cell includes 8 neotame and 12 methanol molecules. Disorder exists in one neotame molecule and one methanol molecule. The crystals were characterized by the following techniques: hot-stage microscopy (HSM), Karl-Fischer titrimetry (KFT), powder X-ray diffractometry (PXRD), differential scanning calorimetry (DSC), thermogravimetry (TGA), 13C solid-state nuclear magnetic resonance (SSNMR) spectroscopy. Under HSM at a heating rate of 10°C/min in silicone oil, the sample melts at 64–84°C and liberates bubbles at 71–86°C. DSC in open pans shows two overlapping endotherms at 56 and 71°C, probably due to melting and desolvation, respectively. TGA in open pans shows 5.9% weight loss due to desolvation below 70°C. Under house vacuum (23 mm Hg) over phosphorus pentoxide at 23°C, the methanol solvate produces pure amorphous anhydrate, which converts to crystalline neotame monohydrate in the presence of moisture.
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  • 46
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    Journal of chemical crystallography 29 (1999), S. 977-982 
    ISSN: 1572-8854
    Keywords: cyano allyl radical ; thermal arrangement ; crystal structure ; isomer ; NMR, MM2
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    Notes: Abstract The preparation, separation, crystal structure and 1H NMR spectra are reported for the two geometrical isomers of 1,1′-bi-3-cyanocyclohex-2-enylidene. The E-isomer crystallized as thin plates in the monoclinic space group P21/n with a = 5.3980(5), b = 7.0757(7), c = 15.300(2) Å, β = 94.571(2)°, and Z = 2. The structure has symmetry C2h. The Z-isomer crystallized as needles in the triclinic space group P1¯ with a = 7.0790(6), b = 11.3155(9),c = 15.386(1) Å, α = 104.943° β = 90.164(2)°, γ = 99.494(2)°, and Z = 4. The compound crystallized with two molecules per asymmetric unit. In C6D6, 1H NMR signals of the 2-vinyl protons appear almost identical. However, in a mixture of C6D6 and pyridine-d 5, the 2-vinyl protons can be distinguished. The structures compare favorably with MM2 calculations.
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  • 47
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    Journal of chemical crystallography 29 (1999), S. 1009-1013 
    ISSN: 1572-8854
    Keywords: crystal structure ; nickel complex ; xanthosine
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    Topics: Geosciences , Physics
    Notes: Abstract The complex [Ni(XsH−1)2(H2O)4]·6H2O (XsH−1: xanthosinate) was isolated from the reaction of nickel carbonate with xanthosine in aqueous solution. The octahedral coordination is supported by the reflectance measurements. Single-crystal X-ray diffraction studies show that the crystals belong to the triclinic P1 space group, with a = 7.152(1), b = 8.830(1),c = 13.783(1) Å, α = 82.024(1)°, β = 86.155(1)°, γ = 70.900(1)°, and D = 1.643 mg/m3, forZ = 1. Nickel is six coordinate with four water molecules, and two N7 atoms from xanthosinato ligands. A complicated hydrogen-bonding network is present, all possible donors taking part in it.
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  • 48
    ISSN: 1572-8854
    Keywords: manganese ; pyridine-2-thiolate ; bis(diphenylphosphino)methane ; carbonyl ; crystal structure
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    Topics: Geosciences , Physics
    Notes: Abstract The dimeric complex [Mn2(μ-pyS)2(CO)6] (1) reacted with 2 M equivalents of both PPh3 and PHPh2 to give the respective monomeric phosphine complexes [Mn(pyS)(L)(CO)3][L = PPh3 (2) and PHPh2 (3)]; with 4 M equivalents of dppm, it yielded the complex [Mn(pyS)(η1-dppm)2(CO)2](4). An X-ray structure determination of 4 shows that it crystallizes in the monoclinic space group P21/n with a = 11.027(3), b = 24.984(7), c = 18.379(5) Å, β = 99.870(8)°, V = 4988(2) Å3, and Z = 4. The complex has an octahedral geometry with the chelating pyS ligand and two CO groups occupying the equatorial sites and the two monodentate dppm ligands lying in the trans positions.
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  • 49
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    Journal of chemical crystallography 29 (1999), S. 1037-1041 
    ISSN: 1572-8854
    Keywords: crystal structure ; imidazolidine ; triazene ; bis-triazene ; methoxy substituent ; π-π stacking
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    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of 1,3-di-2-[(4-methoxyphenyl)-1-diazenyl]imidazolidine (1) has been determined by single crystal X-ray diffraction analysis. This novel bis-triazene assumes a close-to planar structure with the aryltriazene moieties aligned in diametrically opposed directions, unlike many other previously reported bis-triazenes, which assume a folded structure. The structure of 1 is compared with the closely related, non-cyclic bis-triazene analogue (2), and also compared with the structure of the simple mono-triazene (3). Crystal data: 1 C17H20N6O2, monoclinic, space group C2/c, a = 34.948(3), b = 5.925(5), c = 8.1225(6) Å, β = 100.8420(10)°, and V = 1652.0(2) Å3, for Z = 4.
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  • 50
    ISSN: 1572-8854
    Keywords: crystal structure ; tritylaziridine ; acrylate ; spectroscopic features
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    Notes: Abstract The crystal and molecular structure of 2-{(R)-1-Hydroxy-1-[(2S)-1-tritylaziridin-2-y1] methy1}acrylate is described. Crystal data: C26H25NO3, orthorhombic, space group P212121, a = 9.6954(5), b = 13.1458(5), c = 16.7885(7) Å, V = 2139.8(2) Å3, Z = 4. The (R,S) diastereomer shows an intramolecular hydrogen bonding N···H—O under formation of a five-membered ring with N···O distance of 2.664 Å. IR, 1H NMR and 13C NMR data are discussed. The 1H NMR of the (R,S) diastereomer shows a singlet- whereas the (S,S) diastereomer exhibits a doublet-pattern for the hydroxyl proton.
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  • 51
    ISSN: 1572-8854
    Keywords: absolute configuration ; asymmetric synthesis ; azabicyclo[3.2.1]octadiene ; crystal structure
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    Notes: Abstract The title compound crystallized in space group P21 with a = 12.647(8), b = 14.542(4), c = 17.077(16) Å, β = 97.51(6)°, and D calc = 1.143 mg/m3 for Z = 4. There are two chemically-equivalent C27H41NO8Si molecules in the crystallographic asymmetric unit. Each contains three chiral centers, one of known absolute configuration based upon the (R)-pantolactone,—CH*—CMe2—CH2—O—CO—, moiety. The structural study was greatly complicated by disorder of an —OSiMe2(t-Bu) group in one molecule.
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  • 52
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    Journal of chemical crystallography 29 (1999), S. 1081-1084 
    ISSN: 1572-8854
    Keywords: cobalt(II) ; bipyridine ; maleato ; crystal structure
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    Topics: Geosciences , Physics
    Notes: Abstract Preparation of the mononuclear cobalt(II) complex, [Co(bipy)(maleato) (H2O)3]·H2O (1) where bipy = 2,2′-bipyridine, were accomplished by reaction of an aqueous solution containing sodium maleate and an ethanolic solution of Co(NO3)2·6H2O and bipy. The crystal structure of complex (1) was determined by X-ray crystallography. The complex crystallizes in the monoclinic space group P21/n with a = 9.477(3), b = 7.660(2), c =23.526 (3) Å, β = 97.64(2)°, V = 1692.6(6) Å3, and Z = 4. The structure consists of discrete mononuclear cobalt molecules. The cobalt atom is six-coordinate and presents a slightly distorted octahedral geometry, which consists of the two imine N atoms of bipy, a terminal carboxylate O atom from maleato ligand, and a water O atom in the basal plane with Co—N bond distances of 2.116(2) and 2.124(3) Å and Co—O distances of 2.075(2) and 2.088(2) Å, respectively. The relatively shorter Co—O distances are due to the trans effect of the bipy ligand. The octahedral coordination is completed the other two water molecules. The coordinate and the lattice water molecules were identified by TG study.
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  • 53
    ISSN: 1572-8854
    Keywords: Rubidium nitroprusside monohydrate ; crystal structure ; properties
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    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of rubidium nitroprusside monohydrate, Rb2[Fe(CN)5NO] · H2O, has been determined from X-ray diffraction data and refined using direct and Fourier methods to R = 0.066 and Rw = 0.075, employing 1894 independent reflections with I 〉 3 (I). The substance crystallizes in the monoclinic space group C2/c (C 6 2h), with a = 13.987(2), b = 10.241(1), c = 18.151(1) Å, β = 110.94°, and Z = 8. Anions are located at C 1 sites, one per asymmetric unit, and are slightly distorted octahedra. TGA, DTA, FTIR, and FTIR Raman results were interpreted on the basis of the formula of the compound, its crystal structure, and the behavior of other nitroprussides.
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  • 54
    ISSN: 1572-8854
    Keywords: crystal structure ; methyl propiolate ; sulfenic acid ; vinyl sulfoxide ; leinamycin
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    Notes: Abstract Evidence for the formation of unstable sulfenic acids (RSOH) as reaction intermediates is commonly provided by trapping these compounds with methyl propiolate. The crystal structure of a vinyl sulfoxide derived from the trapping of a sulfenic acid with methyl propiolate is reported here. The title compound C12H12O5S crystallized in the triclinic space group,P1¯ with unit cell parameters: a = 6.1600(4), b = 9.7286(7), c = 11.3698(8) Å, α = 112.024(1), β = 94.662(1), γ = 95.429(1)°, and Z = 2.
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  • 55
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    Journal of chemical crystallography 29 (1999), S. 1137-1139 
    ISSN: 1572-8854
    Keywords: acyclic nucleoside analog ; acyclovir ; crystal structure
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    Topics: Geosciences , Physics
    Notes: Abstract The compound 9[1-(2-hydroxy ethoxy)-3-hydroxy propyl] guanine crystalizes in the tetragonal system, space group P41212 with a = 11.106 (1), c = 20.558 (2) Å, and Z = 8. The acyclic chain C1′¯O1′¯C4′¯C5′¯O5′ is in the extended configuration and the glycosidic torsion angle (C4¯N9¯C1′¯O1′) is 125.1 (8)°. The molecules are held together by Van der Waal's forces.
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  • 56
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    Journal of chemical crystallography 29 (1999), S. 1205-1210 
    ISSN: 1572-8854
    Keywords: organic sulfate ; crystal structure ; DTA/TG/DSC ; vibrational spectra
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    Topics: Geosciences , Physics
    Notes: Abstract [1-(2-ammoniumethyl) piperazinium] sulfate denoted PIPS has a monoclinic unit cell. The parameters are: a = 6.6521(3), b = 7.8756(5), c = 19.197(1) Å, β = 94.43(1)° and the space group is P21/n. The preparation, thermal analysis, and IR spectrometric investigation are described. The PIPS structure exhibits a complex three-dimensional network of H-bonds connecting all its components.
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  • 57
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    Journal of chemical crystallography 29 (1999), S. 1265-1269 
    ISSN: 1572-8854
    Keywords: crystal structure ; corticosteroid ; de-oxy corticosterone-21-hemisuccinate
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    Topics: Geosciences , Physics
    Notes: Abstract Synthetic glucocorticoid de-oxy corticosterone-21-hemisuccinate crystallizes in the monoclinic space group C2, with a = 21.896(2), b = 7.596(3) and c = 14.291(3) Å, Z = 4. Ring A is a distorted half chair, ring B and C are in the chair configuration and ring D is in the 14α-half chair configuration. The ring junctions B/C and C/D are both trans. The molecule as a whole is slightly convex towards the β-side, with an angle of 18.4(2)° between the C(10)--C(19) and C(13)--C(18) vectors. In addition to packing and stacking interaction, intermolecular hydrogen bonding plays an important role in structural association. The X-ray structure determination of the title compound was undertaken to study its high binding affinity to serum protein like globulin.
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  • 58
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    Journal of chemical crystallography 29 (1999), S. 1291-1293 
    ISSN: 1572-8854
    Keywords: crystal structure ; pyrazolo[3,4-d]pyrimidine ; fungicidal activity
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    Topics: Geosciences , Physics
    Notes: Abstract The title compound 1-phenyl-3-methylthio-4-imino-5-allyl-pyrazolo[3,4-d]pyrimidine, C15H15N5S, has been synthesized and characterized by x-ray diffraction: orthorhombic, space group Pbca, with a = 17.3480(9), b = 8.5022(5), c = 19.8132(11) Å. Z = 8, V = 2922.4(3) Å3. The compound shows a fully delocalized pyrazolo[3,4-d]pyrimidine system with a sp2 hybridization of the N(4) atom.
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  • 59
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    Journal of chemical crystallography 29 (1999), S. 199-201 
    ISSN: 1572-8854
    Keywords: Manganese (II) ; phenanthroline ; polymeric complex ; crystal structure
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    Topics: Geosciences , Physics
    Notes: Abstract A new polymeric manganese(II) complex, [Mn(II)(phen)(ClCH2COO)2]n, was obtained from the reaction of Mn(ClCH2COO)2 with phen and its structure was determined by x-ray crystallography. The complex crystallizes in the monoclinic system, space group C2/c with a = 19.706(4), b = 11.381(3), c = 7.482(3) Å, β = 94.01(3)°, V = 1674.0(8) Å3, and Z = 4. The structure consists of an infinite chain. The manganese atom is located on a twofold axis and presents a distorted octahedral coordination sphere, which consists of the two N atoms of a phen ligand (Mn—N = 2.304(2) Å) and four carboxylato ligands. The Mn···Mn distance within the chain is 4.53 Å, and the carboxylato bridges present a syn-anti conformation.
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  • 60
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    Journal of chemical crystallography 29 (1999), S. 1255-1259 
    ISSN: 1572-8854
    Keywords: crown ether ; crystal structure ; lariat ; sodium
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    Topics: Geosciences , Physics
    Notes: Abstract A dibenzo-14-crown-4 ether with a novel monooxyacetone sidearm is prepared and its structure with sodium perrhenate is determined. The structure crystallizes in P21/c with cell dimensions: a = 8.107(2) Å, b = 28.138(3) Å, c = 10.293(2) Å, and β = 104.173(9)°; giving a volume of 2276.6(7) Å3. This structure is compared to other sodium complexes of dibenzo-14-crown-4 lariat ethers and is found to be the only one with intramolecular bonding between the sidearm and the cation. Possible reasons for this observation are discussed.
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  • 61
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    Journal of chemical crystallography 29 (1999), S. 1271-1275 
    ISSN: 1572-8854
    Keywords: crystal structure ; pregnen ; progestin ; 4-pregnen-21-ol-3,20-dione
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Synthetic steroid de-oxy corticosterone (4-pregnen-21-ol-3,20-dione) crystallizes in the monoclinic space group P21, with a = 11.706(2); b = 11.171(3), c = 13.966(3) Å, and β = 100.94(2)°, Z = 4. Ring A tends to acquire the conformation of a half-boat, rings B and C are in the chair configuration, and ring D is a 13β, 14α-half-chair. The ring junctions B/C and C/D are both trans, whereas the ring junction A/B is quasi-trans. The molecule as a whole is slightly convex toward the β-side, with an angle of 16.01(0.36)° between the C10--C19 and C13--C18 vectors. Molecular packing and stacking interactions play the major role in structural association. Cohesion of the crystal is due to van der Waals interactions.
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  • 62
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    Journal of chemical crystallography 29 (1999), S. 565-569 
    ISSN: 1572-8854
    Keywords: orotic acid complex ; crystal structure ; copper(II) complex
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    Topics: Geosciences , Physics
    Notes: Abstract The compound [(C5H2N2O4)Cu(H2O)2]n has been synthesized and its structure determined at room temperature. The primary coordination sphere at the Cu ion is square planar with the orotate dianion coordinating at the metal through heterocyclic nitrogen atom and adjacent oxygen of the carboxylate group, the remaining coordination sites are occupied by two water molecules. The orotate dianion is tricoordinated to one copper via N1 and one oxygen of the carboxylato group and to another copper atom via the other oxygen of the carboxylato group. The coordination at copper is extended to five by the other oxygen of the carboxylate group of another orotate molecule. Thus, the molecules are associated to form chains, the carboxylato group acting as a bridge between the metal ions, the orotato-group being tridentate. The title compound crystallizes in the monoclinic space group. P21/n1 with a = 9.515(5), b = 6.925(2), c = 11.861(6) Å, β = 95.285(9)°, D calc = 2.17 g cm−3, and z = 4.
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  • 63
    ISSN: 1572-8854
    Keywords: pseudo-square pyramidal Cu(II) complex ; trans-4-styrylpyridine ; crystal structure ; IR, electronic, and EPR spectra
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    Topics: Geosciences , Physics
    Notes: Abstract Single crystals of the title Cu(II) complex, [Cu(stpy)4(ONO2)(ONO2)′] [stpy = trans-4-styryl-pyridine] have been prepared and characterized by elemental and thermal analyses, IR, electronic and EPR spectral measurements, and X-ray crystal structure determination. The complex crystallizes in the monoclinic space group P21/c with unit-cell parameters, a = 12.985(2), b = 22.865(8), c = 17.024(10) Å, β = 112.29(3)°, and Z = 4. The structure consists of discrete monomeric units of [Cu(stpy)4(ONO2)(ONO2)′]. The equatorial positions of the Cu(II) polyhedron are occupied by nitrogen atoms of the four stpy ligands and the axial positions by the oxygens of two unidentate nitrate anions. One of these oxygens is at rather longer distance [2.609(3) Å] and may be considered to be semicoordinated. If this semibond is ignored, the coordination geometry lies closer to an idealized square pyramid than to the trigonal bipyramid geometry. IR spectra reveal nitrogen coordination from stpy and asymmetry in the monodentate oxygen binding of the two nitrate ligands. The optical reflectance band at 600 nm suggests pseudo-square-based pyramidal geometry around Cu(II). Well-resolved Cu(II) hyperfine features in the EPR spectra reveal the absence of exchange interactions between adjacent copper centers. Optical and EPR spectra of a methanolic solution of the complex indicate solvent interactions. Thermogravimetric analysis shows the complex to be stable up to 175°C.
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  • 64
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    Journal of chemical crystallography 29 (1999), S. 475-480 
    ISSN: 1572-8854
    Keywords: crystal structure ; ab initio calculations ; conjugation ; phosphabutadienes
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    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of 1-phenyl-1-dimethylamino-4,4-bis(trimethylsilyl)-2-aza-3λ3-phosphabutadiene-1,3, Me2N(Ph)C=N—P=C(SiMe3)2 (1), has been determined. Crystal data: triclinic, P1¯, a = 8.975(4), b = 10.001(5), c = 12.440(6) Å, α = 79.04(4), β = 77.98(4), γ = 73.07(4)°, V = 1034.7 Å3, Z = 2, and D c = 1.08 g cm−3. The main geometrical parameters of 1 as well as ab initio (HF/6-31+G**) calculations of the model systems show no clear evidence of high efficiency of the π(C=N)—π (P=C) conjugation.
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  • 65
    ISSN: 1572-8854
    Keywords: contrast agents ; crystal structure ; ortho ester
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    Topics: Geosciences , Physics
    Notes: Abstract 1-(4-Bromobenzyl)-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane, C13H15BrO3, has been synthesized from 4-bromophenylacetic acid chloride via the oxetan ester (3-methyl-3-oxetanyl)methyl-2-(4-bromophenyl)acetate. The crystal structure of the title compound has been determined at low temperature (120 K), by X-ray diffraction methods. This compound crystallizes in the monoclinic space group P21/n (No. 14), Z = 4, with lattice parametersa = 6.019(5), b = 20.990(5), c = 9.915(2) Å, and β = 101.29(1)°.
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  • 66
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    Journal of chemical crystallography 29 (1999), S. 561-564 
    ISSN: 1572-8854
    Keywords: crystal structure ; Raman spectrum ; silver azide ; azide
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    Topics: Geosciences , Physics
    Notes: Abstract Silver nitrate reacts with sodium azide to give white powdery silver azide, which can be crystallized in aqueous ammonia. The compound belongs to orthorhombic space group Ibam with a = 5.600(1), b = 5.980(6), c = 5.998(1) Å, and Z = 4. The layer-type structure is constructed from edge-sharing regular rectangles, each composed of silver atoms at its vertices with an enclosed azide anion in a tilted orientation. The linear and asymmetrical structure of the azide anion in crystalline silver azide has been confirmed by its Raman spectrum.
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  • 67
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    Journal of chemical crystallography 29 (1999), S. 845-848 
    ISSN: 1572-8854
    Keywords: crystal structure ; centrosymmetric ; aminoadamantane derivative ; antiviral ; dispiro compound
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Adamantan-1-ammonium 1-adamantanecarboxylate, C21H33NO2 (I) is a novel dispiro-type compound. Aminoadamantane derivatives, in which the spiro carbon atoms are part of heterocyclic rings, are of potential interest as biological active substances and antiviral agents. Complex (I) crystallizes in the centrosymmetric space group C2/c (No. 15) with eight molecules in the unit cell with a = 25.227(4), b = 6.527(1), c = 22.489(4) Å, and β = 90.75(1)°. The two spiro units are a 1-adamantylammonium cation and a 1-adamantane carbonyloxy anion. The complex units are stabilized by a network of intermolecular carbonyloxy-to-amine hydrogen bonding and van der Waals cohesive forces. Germane bond lengths are: C—N = 1.479(9) and C—O (mean) = 1.25(2) Å.
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  • 68
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    Journal of chemical crystallography 29 (1999), S. 891-899 
    ISSN: 1572-8854
    Keywords: cyclohexaphosphates ; organometallic compound ; crystal growth ; X-ray diffraction ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Three new cyclohexaphosphates with general formula M0.5((C6H5CH2)2NH2)5P6O18·H2O (M=Co, Cu, Cd) are reported. They crystallize with monoclinic unit-cells and are isotropic. We have determined their structure from the salt M=Co. This later exhibits the following unit-cell parameters: a = 22.739(5), b = 17.682(3), c = 18.342(3) Å, β = 91.22(1)°, Z = 4,P21/n, V = 7373 Å3, and Dx = 1.373 g cm−3. The atomic arrangement can be described as layers containing P6O18 ring anions and CoO6 octahedra spreading in the (101) planes and intercalated by the dibenzylammonium groups and the water molecules. Synthesis and characterization by X-ray diffraction, IR absorption, and TA are described.
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  • 69
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    Journal of chemical crystallography 29 (1999), S. 1107-1110 
    ISSN: 1572-8854
    Keywords: crystal structure ; ytterbium ; lanthanide ; coordination complex
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The preparation and structural characterization of [YbI2(DME)2] are reported. The complex crystallizes in the triclinic space group P 1¯: a = 13.0094 (10), b=14.504(3), c = 14.668 (3) Å, α = 115.281(10) β = 106.74(2), γ = 105.97(2)°. The metal center of the complex exhibits a distorted pentagonal bipyramidal coordination geometry which involves a rare example of a monodentate DME ligand.
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  • 70
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    Journal of chemical crystallography 29 (1999), S. 1127-1132 
    ISSN: 1572-8854
    Keywords: crystal structure ; phenyl-substituted cyclopentenes
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structures of two stereoisomers of tetraphenyl- and pentaphenyl-substituted cyclopentenes 1 and 2 have been determined by X-ray analysis. An envelope conformation 1E has been ascertained for the cis isomer 1a, whereas the cis, cis isomer 2a, which crystallizes in two different space groups, P1¯ and P21/n, displays a twisted 2T1 conformation. The phenyl substituents are all tilted with respect to the cyclopentene ring in both structures. Compound 1a crystallizes in the space group P21/a with a = 18.553(3), b = 6.006(2), c = 19.355(5), β = 102.67(4)°, and V = 2104.2(g) Å3 for Z = 4; compound 2a I crystallizes in P21/n with a = 10.064(2), b = 20.756(5), c = 12.245(3) Å, β = 95.21(2)°, and V = 2547(1) Å3 for Z = 4; compound 2aII crystallizes in P1¯ with a = 10.117(3), b = 11.750(2), c = 12.359(2) Å, α = 111.25(2), β = 94.84(2), γ = 108.78(2)°, and V = 1262.3(6) Å3 for Z = 2.
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  • 71
    ISSN: 1572-8854
    Keywords: copper (II) ; histamine ; self-assembly ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A new monomeric copper (II) complex with histamine (him), [Cu(II)(him)2(No3)2], has been prepared by the reaction of Cu(NO3)2 with histaminium dichloride and its structure was determined by x-ray crystallography. The complex crystallizes in the triclinic system, space group $$P\bar 1$$ with a = 5.7238(4), b = 8.7094(7), c = 9.2481(11) Å, α = 69.693(8), β = 73.242(7), γ = 71.050(7)°, V = 400.84(6) Å3, and Z = 1. The structure consists of discrete [Cu(II)(him)2(NO3)2] molecules in which the metal atom is centrosymmetrically coordinated by two histamine ligands forming an equatorial plane with Cu–N(imidazole ring) being 2.032(2) and Cu–N(NH2 group) being 2.023(2) Å. Two O atoms from nitrate anions coordinate on the elongated axial positions with Cu–O being 2.549(2) Å. In the crystal structure, the molecules are organized by hydrogen bonds forming a two-dimensional network.
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  • 72
    ISSN: 1572-8854
    Keywords: xanthenol ; complex ; crystal structure ; H-bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound 14-hydroxy-14-phenyldibenzo[a,j]xanthene 1 formed a (1:1) complex with diethyl ether. 1,4-Dioxane was also enclathrated, but with a variable stoichiometric ratio. Single crystal X-ray crystallography was used to elucidate the crystal structure of the 1·diethyl ether complex. Crystals are orthorhombic with space group P212121, a = 8.532(3), b = 15.040(4), c = 18.491(5) Å, V = 2373(1) Å3, d c = 1.256 g/cm3, and Z = 4. Host and guest molecules were found to associate via hydrogen bonds, with the guest molecules residing in undulating channels lined by host molecules.
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  • 73
    ISSN: 1572-8854
    Keywords: copper(II) ; Schiff base ; polymidazole ; crystal structure ; properties
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The square-planar complex [Cu(MIMH)(CH3CO2)](ClO4) (1) (MIMH = [(4-methylimidazol-5-yl)methylene]histamine) was prepared and structurally characterized. Complex 1 crystallizes in the monoclinic space group P21/n with a = 10.5331(10), b = 12.6177(10), c = 12.9773(10) Å, β = 107.710(10)°, V = 1643.0(2) Å3, and Z = 4. Single-crystal X-ray analysis reveals that the copper(II) atom in 1 has a distorted square-planar environment defined by three nitrogen atoms from the Schiff base ligand and one oxygen atom from the acetate group. The Cu—N bond lengths range from 1.950(3) to 2.015(3) Å and the Cu—O(1) bond length is 1.952(2) Å. The electronic spectra of 1 in aqueous solutions indicates that 1 forms adducts of square-pyramidal geometry with H2O. Cyclic voltammetry of 1 in DMF solution shows that there is some degradation of 1 upon reduction.
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  • 74
    ISSN: 1572-8854
    Keywords: pyrazolyl derivative ; substituted pentane ; crystal structure ; bidentate ligand
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound crystallizes in the centrosymmetric space group C2/c with a = 14.4005(23), b = 7.0494(12), c = 11.2462(20) Å, β = 101.572(13)° and Z = 4; the molecule lies on a crystallographic C 2 axis. Hydrogen atoms were both located and refined.
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  • 75
    ISSN: 1572-8854
    Keywords: crystal structure ; Frentizole ; immunomodulator ; structure-function relationship
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Crystals of Frentizole (from ethanol/water) are monoclinic, space group P21/c, with a = 11.187(4), b = 7.392(2), c = 32.727(6) Å, β = 92.77(2)°, Z = 8, D o = 1.47 g/cm3, and D c = 1.472 g/cm3. There are two independent molecules in the crystallographic asymmetric unit with very different conformations. In molecule A the urea group is in the plane of the benzothiazole ring (0.9°) whereas in molecule B the dihedral angle between them is 4.4°. The dihedral angle between the planes of the phenyl group and the benzothiazole ring are ±157° and ±12°, respectively, in the two molecules. The molecules are linked by a pair of N–H···N hydrogen bonds involving the urea nitrogen and two other N–H···N bonds involving the urea nitrogen and the nitrogen of the benzothiazole group.
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  • 76
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    Journal of chemical crystallography 29 (1999), S. 355-358 
    ISSN: 1572-8854
    Keywords: Quinestrol ; sex steroid ; alkyne ; crystal structure ; solvent inclusion ; hydrogen bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The X-ray crystal structure of the synthetic sex steroid quinestrol (3-O-cyclopentyl-17α-ethynylestradiol) as crystallized from ethanolic solution is determined. The asymmetric unit contains two steroid and one ethanol molecules. The conformation of the two steroid molecules differs in the orientation of the cyclopentane ring. The cocrystallized ethanol molecule facilitates formation of cooperative O—H···O hydrogen bonding. The title compound crystallizes in the monoclinic space group P21, with a = 13.950(6), b = 6.5945(8), c = 25.403(8) Å, β = 104.78(4)°, and D calc = 1.136 g cm−1 for Z = 4.
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  • 77
    ISSN: 1572-8862
    Keywords: Cluster core M6E8 ; structural characteristics ; crystal structure ; hexacobalt cluster complex ; phosphine ; sulfide bridging
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract Two new members of the hexanuclear series [Co6S8(PR3)6] n+, complexes [Co6S8(PMe2Ph)6](ClO4) (1) and [Co6S8P(OMe)3 6] (2), have been synthesizes and characterized by X-ray diffraction analyses. Their formation process was postulated to go through trinuclear μ3--S bridged moieties. The structural characteristics of the M6E8P6 skeleton of a whole series of [M6E8(PR3)6] n+ (M=Co, Cr, Fe, Mo; E=S, Se, Te) complexes are presented in terms of atomic distances and core volumes.
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  • 78
    ISSN: 1573-0832
    Keywords: biological control ; compatible solutes ; Epicoccum nigrum ; polyols ; solid substrate fermentation ; water activity
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Abstract Epicoccum nigrum conidia were produced by solid fermentation on wheat grains (cv. Rendeveaux and Brigadier) at different water activities (aw). Conidial production was highest at high aw(0.996) than at reduced aw (0.98). However, conidial production at reduced aw was improved when the aw of the substrate was adjusted with a mixture of glycerol and water. Maximum levels ofconidiation were 7–11 × 106 conidia g−1 grain. The aw of the solid substrate affected the pattern of accumulation of compatible solutes in the conidia. Mannitol was the main polyol in all conidialtypes. However, the amounts of mannitol were higher in conidia produced at high aw. At reduced aw the conidia of E. nigrum accumulated moreglycerol, which is more efficient in the osmorregulation proccess than mannitol. Arabitol accumulated in low amounts, specifically in conidia produced at the lower aw, on cv. Rendeveaux but not on cv. Brigadier. Trehalose was detected in higher amounts in cv. Rendeveaux than in cv. Brigadier, andthe amounts were higher in conidia produced at high aw. A significant amount of endogenous solutes was detected in the washing liquid used for the separation of the conidia.
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    Integrated pest management reviews 4 (1999), S. 127-143 
    ISSN: 1572-9745
    Keywords: wheat ; stored-grain ; integrated pest management ; aeration ; biological control ; grain sampling ; insect monitoring ; modeling ; area-wide IPM
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract Management of stored-grain insect pests by farmers or elevator managers should be based upon a knowledge of the grain storage environment and the ecology of insect pests. Grain storage facilities and practices, geographical location, government policies, and marketing demands for grain quality are discussed as factors influencing stored-grain insect pest management decisions in the United States. Typical practices include a small number of grain samples designed to provide grain quality information for segregation, blending and marketing. This low sampling rate results in subjective evaluation and inconsistent penalties for insect-related quality factors. Information on the efficacy of insect pest management practices in the United States, mainly for farm-stored wheat, is discussed, and stored-grain integrated pest management (IPM) is compared to field-crop IPM. The transition from traditional stored-grain insect pest control to IPM will require greater emphasis on sampling to estimate insect densities, the development of sound economic thresholds and decision-making strategies, more selective use of pesticides, and greater use of nonchemical methods such as aeration. New developments in insect monitoring, predictive computer models, grain cooling by aeration, biological control, and fumigation are reviewed, their potential for improving insect pest management is discussed, and future research needs are examined.
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    Integrated pest management reviews 4 (1999), S. 21-37 
    ISSN: 1572-9745
    Keywords: carrot weevil ; IPM ; Anaphes spp. ; biological control ; ecology
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract The carrot weevil, Listronotus oregonensis (LeConte) (Coleoptera: Curculionidae) is a major pest of carrots in northeastern North America. The females oviposit in the leaf petiole and the developing larvae make tunnels in the carrot roots. Exclusive reliance on chemical control and the poor control obtained, prompted, in the early 1980s, research on the ecology and physiology of the pest and its natural enemies. Carrot weevil females start their oviposition by 147±9 DD7°C but they oviposit only in carrots past the 4 true-leaf-stage. As a result, oviposition is delayed, and damage reduced, in late-sown carrots. Monitoring carrot weevil adults in the spring with either carrot root sections or wooden plate traps enables growers to apply control treatments only if the population density justifies it. Egg parasitoids of the genus Anaphes (Hymenoptera: Mymaridae) are the most important natural enemies and they account, in untreated plots, for up to 80% mortality. Their effectiveness could be improved by managing field borders to establish secondary host species. An IPM programme was developed in the 1980s based on the research results obtained and, through regular monitoring, has achieved a substantial decrease in pesticide use.
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    Integrated pest management reviews 4 (1999), S. 39-52 
    ISSN: 1572-9745
    Keywords: Scapteriscus ; Neocurtilla ; Gryllotalpa ; biological control ; turf ; pastures ; vegetables
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract There are at least 70 species of mole crickets (Orthoptera: Gryllotalpidae). Some are rare, others are innocuous, and a few are important pests. These soil-dwelling pests damage underground parts of a long list of cultivated plants. Although tillage and flooding are used successfully in some situations to bring these pests to the soil surface and expose them to vertebrate and other predators, chemical pesticides are widely used against them. Knowledge of their life history is used to time application of chemical treatments to save money, but is not used as widely as it might be. Classical biological control has been used against immigrant mole crickets in Hawaii, Puerto Rico, and the southern USA. In Florida, three Scapteriscus species from South America cause major damage to pastures and turf and are targets of a classical biological control program. Population levels of two of the pest species have been reduced substantially in Florida by establishment of a tachinid fly (Ormia depleta) and a steinernematid nematode (Steinernema scapterisci) from South America. The nematode also functions as a biopesticide. Managers of pastures and turf in Florida have thus far derived benefit from these classical biological control agents without understanding their function: use of chemicals is reduced when mole cricket populations are lower due to action of these organisms. Future enhancement of the action of O. depleta and of a sphecid wasp (Larra bicolor, which also was introduced from South America) probably will demand deliberate planting of nectar sources for adults of these biological control agents, and the advantage will be to managers who adopt such a strategy. Chemical pesticide use is strongly promoted by a large chemical industry, whereas biopesticidal use has thus far been little promoted and sales have been few. Even managers who do not change their simple strategy of pesticide use in response to damage by mole crickets, and have no knowledge of the differing life cycles of the three Scapteriscus species or of the presence and action of the classical biological control agents, will derive benefit as these biological control agents (and a predatory beetle which has not yet been released) increase their distribution.
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  • 82
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    Integrated pest management reviews 4 (1999), S. 97-126 
    ISSN: 1572-9745
    Keywords: agriculture ; biological control ; campaign ; chemosterilent ; commensal ; control methods ; economics ; environmental and cultural methods ; horticulture ; India ; pest management ; pre- and post-harvest crop losses ; poultry farms ; rodent ; rodenticide ; South Asia ; trapping
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract Eighteen species of rodents are pests in agriculture, horticulture, forestry, animal and human dwellings and rural and urban storage facilities in India. Their habitat, distribution, abundance and economic significance varies in different crops, seasons and geographical regions of the country. Of these, Bandicota bengalensis is the most predominant and widespread pest of agriculture in wet and irrigated soils and has also established in houses and godowns in metropolitan cities like Bombay, Delhi and Calcutta. In dryland agriculture Tatera indica and Meriones hurrianae are the predominant rodent pests. Some species like Rattus meltada, Mus musculus and M. booduga occur in both wet and dry lands. Species like R. nitidus in north-eastern hill region and Gerbillus gleadowi in the Indian desert are important locally. The common commensal pests are Rattus rattus and M. musculus throughout the country including the islands. R. rattus along with squirrels Funambulus palmarum and F. tristriatus are serious pests of plantation crops such as coconut and oil palm in the southern peninsula. F. pennanti is abundant in orchards and gardens in the north and central plains and sub-mountain regions. Analysis of the information available on the damage and economic losses caused by rodents in rice, wheat, sugarcane, maize, pearl millet, sorghum, oil seed, legume and vegetable crop fields, horticulture and forestry, poultry farms, and rural and urban dwellings and storage facilities clearly shows that chronic damage ranging from 2% to 15% persists throughout the country and severe damage, sometimes even up to 100% loss of the field crop, is not rare. Several traditional and modern approaches and methods of rodent control are being used. The existing knowledge of the environmental, cultural, biological, mechanical and chemical methods of rodent control in India is reviewed. Considerable variations exist in the susceptibility of the pest species to different methods, particularly to rodenticides and trapping, their field applicability, efficacy and economics in different crops, seasons and geographical regions, behavioural responses of the pest species to these methods in different ecological conditions and their adoption by farmers in different regions of India. Environmental and cultural techniques, such as clean cultivation, proper soil tillage and crop scheduling, barriers, repellents and proofing which may reduce rodent harbourage, food sources and immigration have long lasting effects but are seldom adopted. However, their significance in relation to normal agricultural practices, intensification and diversification are discussed. Rodenticides, which provide an immediate solution to the rodent problem, form the major component of rodent control strategies in India. Poison baiting of rodents with zinc phosphide and burrow fumigation with aluminium phosphide are common in agricultural fields and recently Racumin (coumatetralyl) and bromadiolone have been introduced for the control of both agricultural and commensal rodent pests in India. Methods and timings of campaigns and successes and problems in implementation of rodent control are also reviewed.
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  • 83
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    Integrated pest management reviews 4 (1999), S. 307-312 
    ISSN: 1572-9745
    Keywords: microbial control ; biological control ; biopesticide ; mycopesticide ; Metarhizium ; Beauveria
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract Microbial control agents generally kill insects more slowly than chemical pesticides, and fast-moving migratory pests may not at first sight appear to offer the most promising targets for microbial control. Operators responsible for control may need to have recourse to chemical control agents. Nevertheless, there are many occasions when pests breed and feed outside the crop and a microbial control agent can be used. Similarly, immature stages may cause little damage and early treatment in the crop can avoid damage. Microbial control agents are particularly likely to be favoured if the pest breeds in a conservation area, and if a publicly-accountable agency is responsible for control. Other key points of importance are the IPM context, in particular detection, planning and forecasting of outbreaks and the role of natural enemies. With these points in mind, we identify several locust and grasshopper systems where microbial control is becoming established; additionally, Sunn pest of wheat and Armyworm are identified as promising situations forbreak microbials.
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  • 84
    ISSN: 1432-203X
    Keywords: Key words Ethylene inhibition ; Germplasm conservation ; In vitro conservation ; Minimal growth ; Potato ; Silver thiosulfate ; Solanum tuberosum L. ; Tissue culture
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract  Efficacy of silver thiosulfate (STS) in reducing ethylene-induced culture abnormalities during minimal growth conservation of microplants was studied in seven potato (Solanum tuberosum L.) genotypes. Different concentrations of STS (0, 1.5, 3.0, 4.5, 6.0, 7.5 and 9.0 μg ml–1) were tested in minimal growth medium based on MS medium supplemented with 20 g l–1 mannitol and 40 g l–1 sucrose. STS improved the microplant growth and reduced the culture abnormalities during prolonged maintenance of potato shoot cultures in vitro. The beneficial effect of STS was most prominent for number of green leaves per microplant and leaf senescence. After 16 months of storage, desirable microplant growth was observed in cultures conserved in medium containing 6.0–9.0 μg ml–1 STS. The profile of the peroxidase isozymes of conserved cultures did not show any apparent genetic variation due to the presence of STS in the conservation medium.
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    Journal of thermal analysis and calorimetry 55 (1999), S. 797-806 
    ISSN: 1572-8943
    Keywords: cadmium coordination ; crystal structure ; enthalpy of solution ; lattice energy ; lattice enthalpy ; NTO salt ; preparation ; standard enthalpy of dehydration ; standard enthalpy of formation ; thermal decomposition mechanism
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract [Cd(NTO)4Cd(H2O)6]·4H2O was prepared by mixing the aqueous solution of 3-nitro-1,2,4-triazol-5-one and cadmium carbonate in excess. The single crystal structure was determined by a four-circle X-ray diffractometer. The crystal is monoclinic, space group C2/c with crystal parameters of a=2.1229(3) nm, b=0.6261(8) nm, c=2.1165(3) nm, β=90.602(7)°, V=2.977(6) nm3, Z=4, Dc=2.055 g·cm−3, μ=15.45 cm−1, F(000)=1824, λ(MoKα)=0.071073 nm. The final R is 0.0282. Based on the results of thermal analysis, the thermal decomposition mechanism of [Cd(NTO)4Cd(H2O)6]·4H2O was derived. From measurements of the enthalpy of solution of [Cd(NTO)4Cd(H2O)6]·4H2O in water at 298.15 K, the standard enthalpy of formation, lattice energy, lattice enthalpy and standard enthalpy of dehydration have been determined as -(1747.8±4.8), -2394, -2414 and 313.6 kJ mol−1 respectively.
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  • 86
    ISSN: 1572-9001
    Keywords: Tetrahydrotetrol ; polycyclic aromatic hydrocarbon derivative ; carcinogen ; crystal structure ; structure-activity relationship
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The molecular structures of two racemic trans-tetrahydrotetrols formed by hydrolysis of the (±)anti-7,8-dihydroxy-9,10-epoxy-7,8,9,10-tetrahydro derivatives of the strong carcinogen benzo[a]pyrene and the weak carcinogen chrysene have been determined by X-ray crystallographic methods.3 Focusing on the (+)isomers, the stereochemical features of the two tetrols are discussed in detail to determine structural differences, which can be related to the different biological activity of their parent hydrocarbons, since they provide a model for the hydrocarbon moiety in the major PAH-DNA adduct. As a result of this study, a tentative correlation can be stated between biological activity of quasi-planar bay-region PAHs and the presence of structural features, which can decrease the steric hindrance of the aromatic skeleton and the other hydroxy groups on the pseudo-axial O4, which mimics the position of the covalent bond to DNA. The significant structural features seem to be an out-of-plane distortion with a negative torsion angle at the bay region and a half chair conformation of the saturated ring distorted toward the envelope with C8 at the tip as in BPT, in addition to the axial and pseudo-axial conformations of the hydroxy groups at C9 and C10 due to the near bay region. They may be considered generated by trans-opening of the oxirane ring in an anti-diol epoxide biologically active because it is highly strained. The strains, derived from the activation of bay-region PAHs with a negative torsion angle, seem greater in an anti-diol epoxide relative to the syn-isomer. Thus, when the strains are released, the derived trans-tetrol occurs with structural features, which seem to better fit the target. As a consequence, the presence of a methyl group at a bay region should increase the biological activity of a PAH, imposing greater strains to the structure of the anti-diol epoxide.
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  • 87
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    Journal of thermal analysis and calorimetry 57 (1999), S. 807-821 
    ISSN: 1572-8943
    Keywords: bibliography ; critical temperature ; crystal structure ; CuRh2S4 ; CuRh2Se4 ; survey of chalcogenide superconductors
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The thread that runs through all research in the field of superconductivity is new physics through discovery of new materials. The knowledge of superconducting materials has become voluminous and complex. The comprehensive review of the superconducting materials is of particular importance. The main purpose of this report is to present the results of classification for chalcogenide superconductors. Superconducting critical temperature Tc, crystal-structure type and the references proper to these compounds are summarized. Brief survey of the superconductivity in chalcogen elements is also given. Furthermore, as representative sulfide and selenide, superconducting characteristics of CuRh2S4 and CuRh2Se4 will be shown.
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    Journal of thermal analysis and calorimetry 58 (1999), S. 257-267 
    ISSN: 1572-8943
    Keywords: crystal structure ; lattice energy ; lattice enthalpy ; lead salt of NTO ; preparation ; quantum chemical calculation ; thermal decomposition mechanism
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The single crystal of lead salt of 3-nitro-1,2,4-triazol-5-one (NTO), [Pb(NTO)2(H2O)] was prepared and its structure was determined by a four-circle X-ray diffractometer. The crystal is monoclinic, its space group is P21/n with crystal parameters of a=0.7262(1) nm, b=1.2129(2) nm, c=1.2268(3) nm, β=90.38(2)°, V=1.0806(2) nm3, Z=4, Dc=2.97 g cm−3, µ=157.83cm−1, F(000)=888. The final R is 0.027. By using SCF-PM3-MO method we obtained optimized geometry for [Pb(NTO)2⋅H2O] and particularly positions for hydrogen atoms. Through the analyses of MO levels and bond orders it is found that Pb atom bond to ligands mainly with its 6pz and 6py AOs. The thermal decomposition experiments are elucidated when [Pb(NTO)2⋅H2O] is heated, ligand water is dissociated first and NO2 group has priority of leaving. Based on the thermal analysis, the thermal decomposition mechanism of [Pb(NTO)2⋅H2O] has been derived. The lattice enthalpy and its lattice energy were also estimated.
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  • 89
    ISSN: 1572-9001
    Keywords: Nickel complex ; dithiocarbimate ; sulfonamide ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Potassium N-4-methylphenylsulfonyldithiocarbimate, K2(4-CH3C6H4SO2N=CS2), reacted with nickel(II) chloride hexahydrate and tetrabutylammonium bromide to form the bis(N-4-methylphenylsulfonyldithiocarbimate)nickelate(II) tetrabutylammonium salt (Bu4N)2[Ni(4-CH3C6H4S2C=NSO2)2]. The elemental analyses, IR and UV-Vis data obtained were consistent with the formation of a $${\text{nickel}}{\kern 1pt} - {\kern 1pt} {\text{sulfur}}$$ diamagnetic planar complex. The 1H NMR and the 13C NMR spectra showed the expected signals for the dithiocarbimate moiety and the tetrabutylammonium cation. The single-crystal structure analysis showed that this substance crystallizes in the triclinic $${P\bar 1}$$ space group with a = 10.474(3) Å, b = 10.767(3) Å, c = 13.657(3) Å and α = 81.54(2)°, β = 80.44(2)°, γ = 67.63(2)°, V = 1398.5(8) Å3, and Z = 2. The nickel atom is coordinated to four sulfur atoms.
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  • 90
    ISSN: 1572-9001
    Keywords: Nicotine-derived nitrosaminoketone ; nitrosamine ; crystal structure ; molecular dimensions
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The three-dimensional structure of the carcinogenic nicotine-derived nitrosaminoketone, 4-(methyl-nitrosamino)-l-(3-pyridyl)-l-butanone, has been determined by X-ray crystallographic techniques. The molecule is essentially planar except for the methylnitrosamine group which is oriented at a dihedral angle of 68.7° to the pyridine ring. Molecules pack by way of —H⋯O interactions that involve the —NNO group.
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  • 91
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    Journal of chemical ecology 25 (1999), S. 1555-1565 
    ISSN: 1573-1561
    Keywords: Yeasts ; Botrytis cinerea ; apple ; volatiles ; gray mold ; biological control ; fungal interaction ; acetate esters
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology
    Notes: Abstract The fungus, Botrytis cinerea, causes decay in apples in postharvest storage. Conidia of B. cinerea on polycarbonate membranes were incubated on filter paper disks saturated with water or suspensions of yeasts (2 × 106 CFU/filter) and then exposed for 24 hr at 22°C to 0–16 μl of ethyl, butyl, or hexyl acetates injected into the headspaces of 500-cc glass jars. Germination of conidia was increased by exposure to 4–16 μl of ethyl acetate compared to the no-ester controls. Conidia were stimulated to germinate by 4 μl of butyl acetate and 8 μl of hexyl acetate, but greater volumes were toxic to germination. The yeasts Cryptococcus laurentii and Sporobolomyces roseus were more effective at reducing the stimulatory effect than Saccharomyces cerevisiae. Acetate esters also stimulated germination of conidia on polycarbonate membranes on apples inside jars. Cryptococcus laurentii or S. roseus suppressed this effect more than S. cerevisiae. Germination of conidia on a membrane on water inside a 3.9-liter jar containing an apple was 2.5-fold greater than the no-apple control. Butyl acetate increased Botrytis infection of apple wounds. Butyl and hexyl acetate were detected by GLC in the headspace of Golden Delicious apples. Results indicated that some acetate esters produced by apple stimulated germination of B. cinerea conidia, and this effect was suppressed by yeasts.
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  • 92
    ISSN: 1871-4528
    Keywords: Solanin ; Chaconin ; Magnesium ; Kalium ; Stickstoff ; Solanum tuberosum L. ; Phytophthora infestans ; Feldversuch
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Description / Table of Contents: Summary Field experiments were carried out for three years to study the effect of various magnesium, potassium and nitrogen fertilization rates on two medium-early edible potato cultivars. Additionally, one of the experimental areas was sprayed againstPhytophthora infestans to ascertain the effect of fungicides on the content of total glycoalkaloids (TGA) in potato tubers after harvest and after six months of storage. The applied fungicide treatments increased total glycoalkaloids (TGA) of potato tubers (Fig. 4). Fertilization with mineral nitrogen caused different reactions in both cultivars. There was a tendency for cv. Beryl to accumulate more glycoalkaloids with increasing nitrogen fertilization rates, while the opposite was observed for cv. Mila (Fig. 7). Fertilization with potassium and magnesium did not affect the results. On the basis of these results there was no conclusive evidence that the TGA content in the tubers was dependent on cultivar or on the weather during the growing season (Figs 1,2 and 3). The TGA content increased during storage, independently of previous treatments, (Figs 4–7).
    Notes: Zusammenfassung Es wurden Feldversuche in drei Jahren mit zwei Speisekartoffelsorten, verschiedenen Mengen an Mineraldüngern und der Anwendungen eines Pflanzenschutzmittelns gegenPhytophthora infestans angelegt. Die Knollen wurden direkt nach der Ernte sowie nach einer sechsmonatigen Lagerung auf Glykoalkaloidgehalt untersucht. Zwischen den Sorten treten statistisch gesicherte Unterschiede im Gehalt an Glykoalkaloiden auf. Die Anwendung von Pflanzenschutzmitteln während der Vegetation erhöht den Gesamtgehalt an Glykoalkaloiden (TGA) in den Kartoffelknollen kurz nach der Ernte. Eine variierte Mineraldüngung hat keinen statistisch signifikanten Einfluss auf den TGA-Gehalt in den Proben kurz nach der Ernte, N- und K-Düngung verändern diesen jedoch im Laufe der Lagerung. Unabhängig von den übrigen Bedingungen erhöht sich der TGA-Gehalt in diesem Versuch während der Lagerung im Mittel von 5,8 auf 7,7 mg/100g Frischsubstanz.
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  • 93
    ISSN: 1871-4528
    Keywords: growth regulator ; sucrose ; Solanum tuberosum L.
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Summary Ancymidol-induced in vitro tuberisation under different photoperiodic regimes (dark, SD=8 h, LD=16 h) and sucrose concentrations (2, 4, 6 and 8%) in cv. Jaerla (early) and cv. Baraka (late) was studied. Tuberisation was scored after 4 (dark) or 8 (light) weeks. Ancymidol significantly increased tuberisation under LD-SD for any sucrose concentration in both cultivars. Ancymidol also significantly increased tuberisation under LD-dark for 6% sucrose in both cultivars. Tuberisation in cv. Jaerla was significantly higher than in cv. Baraka for any photoperiodic treatment in the presence or absence of ancymidol with 4, 6 or 8% sucrose. The photoperiod SD-SD resulted in the higher level of tuberisation for any combination of sucrose, cultivar and ancymidol. The possible role of ancymidol is discussed.
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  • 94
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    Potato research 42 (1999), S. 611-617 
    ISSN: 1871-4528
    Keywords: dormancy ; potato ; losses ; Solanum tuberosum L. ; seed potato production
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Summary Microtubers can be stored longer, transported and handled easier than plantlets, but they have some disadvantages related to long dormancy. Dormancy, number of sprouts per tuber and loss of microtubers under different storage temperatures were studied. Microtubers of four genotypes originated from different tuberization treatments (photoperiod combinations) were observed. We found that dormancy depended on cultivar and — in some cases — on the photoperiod treatment applied during tuberization. Generally, the dormacy was long and was greatly elongated by low storage temperature. One of the photoperiod treatments shortened while the other treatment prolonged the rest-period compared to the control, maybe due to a change in temperature accompanying the change in daily light (photoperiod combination). Besides, these treatments affected the number of sprouts per tuber. There was no significant difference in duration of dormancy between different tuber-size groups, but the loss increased significanctly with a decrease in tuber size. Based on this information we can use microtubers more effectively in the seed potato production programme.
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  • 95
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    Potato research 42 (1999), S. 101-105 
    ISSN: 1871-4528
    Keywords: late blight ; testing methods ; electrolyte leakage ; Solanum tuberosum L.
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Summary The resistance of ten potato cultivars (Agria, Ajax, Désirée, Liseta, Kennebec, Majestic. Monalisa, Prima, Spunta and Tonda di Berlino) toPhytophthora infestans was analyzed in vitro using 8 fungal strains. An assay based on electrolyte leakage was used for screening leaves and tuber tissues with fungal culture filtrates. With almost all cultivars the resistance of leaves did not correlate with the resistance of tubers. Cv. Ajax appeared the least susceptible in both leaf and tuber tests, while the cv. Prima was the most susceptible in tuber tests.
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  • 96
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    Potato research 42 (1999), S. 229-240 
    ISSN: 1871-4528
    Keywords: earliness ; planting season ; Mediterranean area ; off-season production ; Solanum tuberosum L.
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Summary In Italy, the early potato cultivars of greatest economic significance are those grown off-season, in a cycle which is generally much earlier than the typical spring-summer cycle. Of the area given over to early potatoes in Italy, more than 90% is in the southern regions. The economic value of this production is due to its extraseasonality, which allows much of the early potato harvest to be sold on foreign markets. In Sicily, more than 5000 ha of potato are grown, with a high frequency of potato crops on small plots. Early potatoes are often rotated with various fruits and vegetables, and the length of the cycle is variable, from 100 to 140 days. Choosing the most suitable cultivar is the most complex aspect of early potato growing. Of the criteria used, tuber growth rate has shown most validity. In Sicily two cultivars are mainly grown: Sieglinde and the more recent but well-established Spunta. Agricultural techniques used for early potato cultivation vary depending on the area. An overview of the agronomic practices used in different areas is given in this paper.
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  • 97
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    Potato research 42 (1999), S. 381-395 
    ISSN: 1871-4528
    Keywords: agronomy ; breeding ; pathology ; physiology ; Solanum tuberosum L. ; storage ; utilisation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Summary This contribution presents highlights of the oral and poster presentations in the various sessions of the 14th Triennial Conference of the European Association for Potato Research, held in Sorrento, Italy, May 1999. It is based on the reports of the session chairpersons and the book of abstracts. The paper reports the progress made in many aspects of potato research, but also stresses the need for further collaborative work, especially in the fields of molecular physiology, marker assisted breeding, control of late blight, potato tuber moth and other pests and diseases, stress physiology and stress resistance, and sustainable cropping systems with both short and long cycle potato crops.
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  • 98
    ISSN: 1871-4528
    Keywords: Solanum tuberosum L. ; tuberisation ; extensin ; acyl carrier protein thioesterase ; high mobility group protein ; gene expression ; plant development
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Summary In screening to isolate a full-length copy of a previously isolated cDNA clone, a further three cDNAs were also isolated from a library prepared from sub-apical swelling-stolon tissue of potato (Solanum tuberosum L.). Sequence analysis showed these clones to be similar to extensin-like protein genes, acyl carrier protein thioesterase genes and high mobility group protein genes, respectively. A further cDNA, isolated by subtractive hybridisation, was similar to a tomato cDNA previously isolated on the basis of its down-regulation following nematode infection. While all the newly isolated genes were expressed in swelling stolons, for most, maximal expression was seen to be in stem tissue. Possible roles for these genes in the development of potato plants are discussed, as is the significance of gene expression in stems and stolons to the process of tuberisation.
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  • 99
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    Potato research 42 (1999), S. 89-93 
    ISSN: 1871-4528
    Keywords: analysis ; HPLC ; β-glucoside ; 1,2-dihydro-3,6-pyridazinedione ; Solanum tuberosum L.
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Summary The method of Vadukul (1991) for determining maleic hydrazide (MH) was modified and gave recoveries of free MH of 89%±4%. The values recorded on individual tubers ranged from 2–14 mg kg−1. Maleic hydrazide was evenly distributed throughout the tuber (peel, outer and inner flesh) but concentration increased slightly as tuber size increased. The concentration of free MH decreased from 7 to 3 mg kg−1 over the storage period of 5 1/2 months. Acid hydrolysis released substantial amounts of MH particularly from older potatoes (13 mg kg−1) compared with 6 mg kg−1 from new potatoes, implying that free MH is gradually converted to a bound form with time after treatment. No evidence was found for the presence of a β-glucoside of MH.
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  • 100
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    Potato research 42 (1999), S. 241-264 
    ISSN: 1871-4528
    Keywords: global distribution ; prospects ; diversification ; specialization ; price risk ; Solanum tuberosum L.
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Summary We examine the changing character of supply and demand for potatoes over time and space with an eye towards implications for agricultural research. Diversification in consumption and specialization in production are our organizing themes. The foundation for comparative analysis is a map of the global distribution of potato growing area. We highlight the adverse impact of price risk on specialization and discuss several sources of uncertainty that condition the size but not the direction of major trends.
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