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  • Articles  (12)
  • hydrogen bonding  (12)
  • 2010-2014
  • 2000-2004  (12)
  • 1980-1984
  • 1950-1954
  • Geosciences  (12)
  • 1
    Electronic Resource
    Electronic Resource
    Crystal structure and spectroscopy of a most unusual Cu(II) coordination compound containing an infinite chain of lattice ligand interwoven with stacked sheets of neutral bis(2-aminopyrimidine-bridged) copper ions: X-ray structure of [Cu(ampym)2(H2O)2(CF3SO3)2](ampym)2(ampym)2 (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 11-16 
    Details
    ISSN: 1572-8854
    Keywords: aminopyrimidine ; copper ; stacking ; hydrogen bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Reaction of Cu(II) triflate with an excess of 2-aminopyrimidine (ampym) in ethanol followed by slow crystallization results in a most unusual crystal lattice, which can be considered as consisting of two interpenetrating sublattices. The compound analyzes as [Cu(ampym)2(H2O)2(CF3SO3)2(ampym)4]. Crystal data: Triclinic, P $$\overline 1$$ , a = 7.6179(5), b = 11.4311(14), c = 11.8373(13) Å, α = 84.098(9), β = 79.998(7), γ = 84.253(8)°, Vol = 1010.151(8) Å, Z = 1, Dcalc = 1.592 g/cm3. One part of the lattice consists of the unprecendented linear chain of neutral ampym molecules; the chain is built up by Watson–Crick type bis-hydrogen bonds between imine N atoms and N-H groups of the NH2. This ampym chain is apparently stabilized by the other part in the crystal lattice, which can best be described by starting from the centrosymmetric trans-CuII(ampym)2(H2O)2 ion (Cu-N = 2.01 Å; Cu-O = 1.94 Å). This Cu ion is coordinated by two monodentate ampym ligands, two water molecules and two semi-coordinating triflate oxygen atoms. The Cu chromophore is held in position by hydrogen bonding towards a triflate ion (two times for symmetry reasons), and (again two times) a free ampym ligand. The triflate ion bridges a water hydrogen to a next-neighboring free ampym ligand. The noncoordinating ampym molecule has four bonding sites, of which two are used in H-bonding with the coordinated ligand, one with the triflate and the last one with the water hydrogen atom. The noncoordination ampym molecules in this sublattice finally form aromatic stacks with coordinated ampym and with itself in pairs (ring-ring distance 3.77-3.80 Å).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009533729785
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  • 2
    Electronic Resource
    Electronic Resource
    Crystal structure of [Cu2(II)(dmpa)2(p-Cl-C6H5COO)2] (Hdmpa = N,N-dimethyl-3-amino-1-propanol) (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 35-38 
    Details
    ISSN: 1572-8854
    Keywords: copper(II) ; aminoalcoholato ; hydrogen bonding ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The copper complex, [Cu2(II)(dmpa)2(p-Cl-C6H5COO)2], has been prepared and its structure determined using X-ray crystallography. The dimer is a di-μ2-alkoxo complex which is a five-coordinate copper dimer with unsupported alkoxo bridges. The complex crystallizes in the triclinic space group P-1 with a = 11.384(2), b = 14.636(5), c = 9.609(2) Å, α = 100.07(2), β = 104.33(3), γ = 72.79(2)°, V = 1471.8(7) Å3, and Z = 2. The structure is comprised of discrete binuclear clusters in which the metal atoms are bridged by two alkoxo oxygens of the dmpa− ligands. The Cu-O and Cu-N distances are in good agreement with those found for other copper(II) aminoalcoholato complexes. The Cu···Cu distance is 2.9765(6) Å. In the crystal, every two dimeric coordination molecules are combined together by the recognition through intermolecular hydrogen-bonding interactions between the apical water molecule and the non-coordinated O atom from the p-chlorobenzoato ligand, forminga tetramer.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009542031602
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  • 3
    Electronic Resource
    Electronic Resource
    Synthesis and crystal structure of manganese(III) hydroxyl-containing Schiff base complexes: [Mn(III)(Hvanpa)2]N3 (H2vanpa = 1−(3-hydroxysalicylaldeneamino)-3-hydroxypropane) (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 39-42 
    Details
    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, [Mn(III)(Hvanpa)2]N3 has been prepared and the crystal structure determined using x-ray crystallography. The mononuclear complex has a six-coordinate octahedral geometry. The complex crystallizes in the monoclinic space group P21/c with a = 9.867(1), b = 13.316(2), c = 9.0110(1) Å, β = 107.870(1)°, V = 1126.8(2) Å3, and Z = 2. The Mn-O and Mn-N distances in the equatorial plane are in good agreement with those found for other manganese(III) Schiff base complexes. In the axial direction, the Mn-O distances of 2.274(2) Å is about 0.3 Å longer than those in the equatorial plane due to a Jahn-Teller distortion at the d4 manganese(III) center. In the crystal, each azido ion is linked through hydrogen bonding with two hydrogen atoms from the coordinate hydroxyl groups at the apical site.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009594015672
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  • 4
    Electronic Resource
    Electronic Resource
    X-ray crystal structure of trans-bis(monoethanolamine) bis(saccharinato)nickel(II) (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 767-771 
    Details
    ISSN: 1572-8854
    Keywords: saccharin ; monoethanolamine ; nickel(II) complex ; hydrogen bonding ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of trans-bis(monoethanolamine)bis(saccharinato)nickel(II), [Ni(C7H4NO3S)2(C2H7NO)2], has been determined from X-ray diffraction data. The metal complex is monoclinic, with a = 11.0555(5), b = 8.9103(4), c = 11.3890(5) Å, β = 105.0230(10)°, Z = 2, and space group P21/c . The structure consists of individual molecules. Two monoethanolamine molecules and two saccharinate anions coordinate the nickel atom forming a distorted octahedron. The monoethanolamine molecules act as a bidentate ligand and form five-membered trans chelate rings, which constitute the plane of the coordination octahedron, while two saccharinate ions behave as a monodentate ligand occupying the axial positions. Intermolecular hydrogen bonds link the molecules to form a three-dimensional infinite structure.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1013292406687
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  • 5
    Electronic Resource
    Electronic Resource
    A 1:1.5 complex of 5,7-dioxo-1,4,8,11-tetraazacyclotetradecane and 2,6-dihydoxyanthraquinone (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 199-202 
    Details
    ISSN: 1572-8854
    Keywords: 5,7-Dioxo-1,4,8,11-tetraazacyclotetradecane ; 2,6-dihydoxyanthraquinone ; hydrogen bonding ; supramolecular network
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A complex of 5,7-dioxo-1,4,8,11-tetraazacyclotetradecane (dioxocyclam) and 2,6-dihydoxyanthraquinone (anthraflavic acid) has been obtained. The complex (crystals grown from water-ethanol solution) has a stoichiometry dioxocyclam-anthraflavic acid 1:1:5. C31H32N4O8, chemical formula weight 588.61, triclinic, P − 1, a = 10.542(3) Å, b = 11.936(2) Å, c = 12.206(2) Å, α = 104.00(1)°, β = 92.68(2)°, γ = 103.64(2)°, V = 1439.4 (5) Å3, Z = 2, Dx = 1.358 g cm−3. Only one of the two amine N-atoms of the macrocycle is protonated due to very weak acidic properties of 2,6-dihydoxyanthraquinone. Due to the rather poor quality of the crystals and structure refinement, reliable determination of H-bonds is complicated. Nevertheless, several types of H-bonding responsible for the formation of a developed supramolecular network can be suggested: between the protonated amino groups and macrocycle's C=O moieties; between non-protonated amino groups and macrocycle's C=O moieties; between protonated and non-protonated amino groups; between the amide NH and C=O groups of anthraflavic acid; and between protonated and deprotonated hydroxy groups of the acid. Two types of anthraflavic components can be distinguished in the lattice: those having a parallel orientation with respect to the macrocyclic fragments and forming hydrogen bonds with the latter, and those lying in an approximately perpendicular plane and not involved in H-bonding with the macrocycles.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009539316291
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  • 6
    Electronic Resource
    Electronic Resource
    The role of hydrogen bonding in pseudo-macrocyclic ring formation in 2,6-dimethyl-1,3,5,7-cyclooctatetraene 1,3,5,7-tetracarboxylic acid monohydrate (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 621-626 
    Details
    ISSN: 1572-8854
    Keywords: Carboxylic acids ; cyclooctatetraene ; hydrogen bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract 2,6-Dimethyl-1,3,5,7-cyclooctatetraene-1,3,5,7-tetracarboxylic acid 3, C14H14O9, was prepared by thermolysis of the corresponding semibullvalene and characterized by spectroscopic and single-crystal X-ray diffraction studies. The monohydrate of 3 crystallizes in the tetrahedral space group P-4n2, a = 11.0924(3) Å, c = 12.6799(5) Å, V = 1560.15(9) Å3, Z = 4. The cyclooctatetraene ring adopts a tub-shaped conformation with a crystallograpically imposed twofold rotational symmetry, and is composed of localized C=C double bonds in the 1,3,5, and 7 positions with an average interatomic distance of 1.327 (5) Å and C–C single bonds with an average interatomic distance of 1.489(5) Å. The average C=C–C angle in the ring is 122.6(3)°. Each symmetry generated eight-membered ring contains four carboxyl groups, two of which are coplanar with the methyl groups across the C=C ring atoms. However, across the C–C bonds the carboxyl groups and the methyl groups show a torsion angle of 64.3(4)°. The presence of a water molecule in the crystal lattice generates a three-dimensional network of close hydrogen bondings between water and the carboxyl groups of multiple rings. This creates a network of orthogonal 10-membered rings between the 8-membered rings. Two given cyclooctatetraene rings are intermolecularly hydrogen bonded not only directly through their carboxyl groups but also via a bridging water molecule. This effect is rare in polycarboxylic acids and their monohydrates which bond only with water or among themselves.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1011981630202
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  • 7
    Electronic Resource
    Electronic Resource
    Molecular assembly in an inclusion crystal of tris(2-benzimidazylmethyl)amine with 4-nitrobenzoic acid (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 783-788 
    Details
    ISSN: 1572-8854
    Keywords: molecular complex ; 4-nitrobenzoic acid ; tris(2-benzimidazylmethyl) amine ; hydrogen bonding ; molecular assembly
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A 1:2 inclusion compound of tris(2-benzimidazylmethyl)amine with 4-nitrobenzoic acid [(C24H21N7) · (C7H5NO2)2] has been prepared and the molecular assembly in solid state has been determined by X-ray crystal structural analysis. The crystal structure (C 2/c, a = 25.488(5), b = 13.304(3), c = 21.479(4) Å, β = 93.35 (3)°, Z = 8, R = 0.065) consists of discrete dimeric inclusion compounds joined together by N(5)...N(6) intermolecular hydrogen bonds between pairs of centrosymmetrically related benzimidazole rings of the hosts. There are two types of guest molecules in the crystal, one is incorporated within the cavity of the host via three intramolecular N—H···O hydrogen bonds while the other is situated outside the cavity and connected with the host through one O—H···N hydrogen bond. The π–π stacking interactions between guests and benzimidazole rings result in one-dimensional columns. The aromatic face–face interactions between neighbouring columns facilitate the assembly of those columns into two-dimensional layers.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1013272224434
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  • 8
    Electronic Resource
    Electronic Resource
    Molecular structure and 1H, 13C NMR assignments of 1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 115-118 
    Details
    ISSN: 1572-8854
    Keywords: 1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene (titmb); crystal structure; hydrogen bonding; 2D NMR ; crystal structure ; hydrogen bonding ; 2D NMR
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The molecule 1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene (titmb) crystallizes as a monohydrate in the monoclinic space group C2/c with a = 20.888(4), b = 13.220(2), c = 14.385(2) Å, β = 90.36(1)°. Two of three imidazole groups are on one side of the central benzene ring, and the other one is on the opposite side. The crystal packing of titmb is stabilized by O-H--N hydrogen bonding between the water molecule and nitrogen atoms of the imidazole group. The complete 1H and 13C NMR assignments for titmb were carried out by 2D NMR spectral measurements.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009569612985
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  • 9
    Electronic Resource
    Electronic Resource
    Crystal structure of γ-2-trans-2,6-diphenylthian-1,1-dioxide-4-one oxime, C17H17NO3S (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 143-145 
    Details
    ISSN: 1572-8854
    Keywords: thian ; oxime ; hydrogen bonding ; x-ray crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The X-ray crystal structure of γ-2-trans-2,6-diphenylthian-1,1-dioxide-4-one oxime is determined [C17H17NO3S, space group P21 n, a = 8.177(1) b = 9.574(1)c = 19.730(5) Å, β = 97.35(5)°]. The oxime group does not form an oxime dimer, but is involved in an O-H···O=S hydrogen bond.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009582015710
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  • 10
    Electronic Resource
    Electronic Resource
    Crystal and molecular structures of (20R)-20-aminopregn-5-en-3β-ol and (20S)-20-aminopregn-5-en-3β-ol hydrochloride (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 291-299 
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    ISSN: 1572-8854
    Keywords: Amino steroids ; X-ray analysis ; absolute configuration ; epimers ; hydrogen bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Two epimers of 20-aminopregn-5-en-3β-ol differing in configuration at C(20) have been synthesized and their structures have been determined by single crystal X-ray diffraction methods. The (20R)-epimer (1) crystallized in the orthorhombic system, space group P212121, with a = 9.0432(5) Å, b = 13.3446(7) Å, c = 15.1086(8) Å, and Z = 4. The (20S)-epimer hydrochloride hydrate (2 hydrate) crystallized in the monoclinic system, space group C2, with a = 31.0501(3) Å, b = 11.8221(1) Å, c = 11.9703(2) Å, β = 98.5140(10)°, and Z = 8. The absolute configurations at the C(20) chiral centers for the title compounds were unequivocally established for the first time. The asymmetric unit cell of 2 hydrate contained two steroid molecules, A and B, two hydrochloride molecules, and two molecules of water. The crystal packing for both diastereomers was strongly influenced by the presence of intermolecular hydrogen bonding. The molecules of 1 were linked in a head-to-tail fashion via hydrogen bonds between the hydroxyl group of the ring A and the amino group of the side chain of the ring D. The two molecules A and B of 2 hydrate were held together in head-to-head and head-to-tail fashions by a three-dimensional network of hydrogen bonds involving chlorine ions, disordered water molecules, and hydroxyl–amino groups interactions.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009553022723
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  • 11
    Electronic Resource
    Electronic Resource
    Hydrothermal synthesis of [Mn(HTPO)(BIPY)] (H3TPO = tris-(4-carboxylphenyl)phosphine oxide): a crosslinked coordination polymer (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 449-453 
    Details
    ISSN: 1572-8854
    Keywords: Coordination polymer ; manganese ; hydrogen bonding ; hydrothermal synthesis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The hydrothermal synthesis and crystal structure of the title compound is reported. The structure consists of 1-D looped chains with the HTPO ligand binding through the phosphoryl and two carboxylate oxygens to manganese atoms. The carboxylic acid group is hydrogen bonded to adjacent chains forming a 2-D hydrogen bonded network. The crystals are triclinic and the space group isP-1 with a = 11.6767(8) Å, b = 10.8680(8) Å and c = 11.4232(87rpar; Å α = 92.301(2)°, β = 106.932(2)° and γ = 103.2390(10)° V = 1341.02(16) Å3; Z = 2.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1011395315246
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  • 12
    Electronic Resource
    Electronic Resource
    Synthesis and structure of (±)-4-O-methanesulfonyl-myo-inositol 1,3,5-orthoformate (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 605-609 
    Details
    ISSN: 1572-8854
    Keywords: Inositol ; cyclitol ; C8H12O8S ; signal transduction ; hydrogen bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Racemic 4-O-methanesulfonyl-myo-inositol 1,3,5-orthoformate was prepared by methanolysis of racemic 2,4-di-O-benzoyl-4-O-methanesulfonyl-myo-inositol 1,3,5-orthoformate, in the presence of triethylamine. The diol crystallizes in space group P212121 with cell dimensions a = 6.094(1), b = 6.502(2), c = 25.947(3) Å, V = 1028.1(4) Å, Z = 4. The molecular crystals show both intra- and intermolecular O—H···O short contacts. The methine and the methyl hydrogens are involved in several C—H···O interactions.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1011314512066
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