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  • 1
    Digitale Medien
    Digitale Medien
    Crystal and molecular structure of the spin-crossover complex bis(pyridine) [N,N′-ethylenebis (3-carboxysalicylaldimine)] cobalt (II) (1988)
    Springer
    Journal of chemical crystallography 18 (1988), S. 429-437 
    Details
    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The average structure of the title compound, Co(H2fsa2en)(py)2, which has been shown previously to exhibit a thermally induced high-spin ↔ low-spin crossover, has been investigated by single-crystal X-ray diffraction. This structure has been solved in the monoclinic space groupC2/c (No. 15), with cell dimensionsa=16.641(5),b=9.496(4),c=16.329(6) Å, andβ=95.47(3)°;V=2569(3) Å3,M r =571.46,Z=4,D x =1.478 mg m−3; MoKα radiation (graphite crystal monochromator),λ=0.71073 Å,μ(MoKα)=7.138 cm−1;T=295 K andR=0.081 for 681 observed [I〉3σ(I)] independent reflections. The cobalt(II) ion resides on a twofold axis in an elongated octahedral environment, the length of the apical bond (formed with pyridine) being 2.262(12) Å and the mean length of the equatorial bonds (formed with the Schiff base) 2.079(12) Å. These values are consistent with the magnetic behavior, which suggested a distorted surrounding for the metal atom. The packing is essentially governed by the parallelism of the salicylaldimine ligands. The two pyridine rings of the molecule are twisted by ~98° on each side of the basal plane; they are probably affected by orientational disorder or, if ordered, they might be described in a superstructure not yet established.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01195694
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  • 2
    Digitale Medien
    Digitale Medien
    Crystal Structure of a p-Benzylcalix[5]arene- pyridine Complex (1998)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 31 (1998), S. 357-365 
    Details
    ISSN: 1573-1111
    Schlagwort(e): calixarenes ; crystal structure ; supramolecular assembly
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract p-Benzylcalix[5]arene.3py (py = pyridine) (1) crystallizes in the triclinic space group P1, a = 10.641(3), b = 13.975(3), c = 24.052(12) Å, α = 94.60(4), β = 91.51(4), γ = 111.46(2)°, V = 3312(4) Å3, Z = 2. Refinement led to a final conventional R value of 0.065 for 5457 reflections. The calixarene is in a distorted cone conformation. Two pyridine molecules are hydrogen bonded to phenolic oxygen atoms and one of them is included in the hydrophobic cavity of the neighboring calixarene molecule along the a axis.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1023/A:1007964510691
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  • 3
    Digitale Medien
    Digitale Medien
    Octa(p-hydroxy)octakis(propyloxy)calix[8]arene: The First Crystal Structure of a p-Hydroxy Calixarene (2000)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 36 (2000), S. 259-266 
    Details
    ISSN: 1573-1111
    Schlagwort(e): calixarene ; hydroquinone derivative ; crystal structure ; hydrogen bonding
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract Octa(p-ydroxy)octakis(propyloxy)calix[8]arene.9(pyridine).2(H2O) crystallises in the triclinic space group P-1, a = 14.083(2), b = 14.478(2), c = 15.652(2) Å, α = 70.109(4), β = 74.146(3), γ = 75.572(4)°, V = 2843(1) Å3, Z = 1. Refinement led to a final R1 value of 0.0757 for 4693 reflections. The calixarene sits around a crystallographic centre of inversion and is in the `chair-like' conformation. All p-hydroxyl groups form hydrogen bonds with either pyridine or water molecules leading the extended structure to be composed of infinite ribbons parallel to the [1,0,-1] direction.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1023/A:1008018628939
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  • 4
    Digitale Medien
    Digitale Medien
    Bis(crown ether) and Azobenzocrown Derivatives of Calix[4]arene. A Review of Structural Information from Crystallographic and Modelling Studies (2000)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 36 (2000), S. 375-408 
    Details
    ISSN: 1573-1111
    Schlagwort(e): Calixarenes ; crown ethers ; azobenzene ; ditopic receptors ; cation complexation ; cation extraction ; nuclear wastes ; crystal structures ; molecular modelling ; molecular dynamics
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract The association within one molecule ofcalix[4]arene and crown ether moieties leads toligands with new complexing properties. In particular,calix[4]arene bis(crown-6) and some of itsderivatives have been shown to be highly selectiveextractants for caesium ions. This review presents thebackground of the study and the results of crystalstructure determinations and molecular modellingcalculations performed during the investigation of twomolecular families, the bis(crown ether) and theazobenzocrown derivatives of calix[4]arene.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1023/A:1008079027142
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  • 5
    Digitale Medien
    Digitale Medien
    Crystal Structure of a Uranyl/p-tert-Butylcalix[5]arene Complex (1997)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 27 (1997), S. 13-20 
    Details
    ISSN: 1573-1111
    Schlagwort(e): Uranyl complexes ; calixarenes ; crystal structure
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract The synthesis and crystal structure of the inclusion complex between uranyl and p-tert-butylcalix[5]arene are reported. [UO2 (p-tert-butylcalix[5]arene-4H]2- · $${\text{2HNE}}_{{\text{t}}_{\text{3}} }^{\text{ + }} $$ &·2MeOH(1) crystallizes in the monoclinic space group C2/c, a = 30.06(2), b = 18.20(3), c = 31.35(2) Å, β = 128.51(6)°, V = 13423(40) Å3, Z = 8. Refinement led to a final conventional R value of 0.043 for 4155 reflections. The uranyl ion is bonded, in its equatorial plane, to the five oxygen atoms of the calixarene, four of which are deprotonated. A protonated triethylamine molecule is located inside the calixarene cavity and hydrogen bonded to a uranyl oxygen atom, and another one outside and hydrogen bonded to a calixarene oxygen atom. The calixarene conformation is the usual cone one.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1023/A:1007938218723
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  • 6
    Digitale Medien
    Digitale Medien
    A doubly deprotonated form of calix[6]arene: Crystal and molecular structure of (calix[6]arene-2H)2−·(HNEt 3 + )2 (1994)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 20 (1994), S. 89-96 
    Details
    ISSN: 1573-1111
    Schlagwort(e): Calix[6]arene ; calixarene conformation ; crystalline structure
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract The doubly deprotonated form of calix[6]arene, with two protonated triethylamines as counter-ions, crystallizes in the monoclinic system: space groupP21/n,a=8.465(4),b=17.822(8),c=15.182(6) Å,β=90.18(4)°,V=2291(2) Å3,Z=2. Refinement led to a final conventionalR value of 0.063 for 1046 reflections. The macrocycle conformation is not apinched cone, usual for freeR-calix[6]arene, but a distorted 1,2,3-alternate cone, since the molecule lies on a symmetry center. Furthermore, one of the torsion angles defined by the methylene bridges is near to zero, which is unusual in calixarene structures.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00707614
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  • 7
    Digitale Medien
    Digitale Medien
    An inclusion complex between acetonitrile andp-tert-butylcalix[6]arene (1994)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 20 (1994), S. 373-379 
    Details
    ISSN: 1573-1111
    Schlagwort(e): p-tert-butylcalix[6]arene ; guest-host system ; crystalline structure
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract p-tert-Butylcalix[6]arene forms a complex with 1.5 acetonitrile molecules, that are included in the macrocycle cavity. This complex crystallizes in the monoclinic system: space groupP21/m,a=14.043(4),b=16.916(11),c=14.199(11) Å,β=98.27(6)°,V=3338(4) Å3,Z=2 (formula units). Refinement led to a final conventionalR value of 0.113 for 1654 reflections. Thepinched cone conformation of the calixarene is the same as that of the neutral and freeR-calix[6]arene already described. The two acetonitrile molecules interact with some phenyl ring π-clouds, a methylene bridge and sometert-butyl groups of the calixarene.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00708881
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