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  • 1
    Electronic Resource
    Electronic Resource
    Molecular structure and conformational analysis of chirai (−)-3-(4-bromobenzylidene)-1-isopropyl-2-methoxy-4-methylcyclohexene (1995)
    Springer
    Russian chemical bulletin 44 (1995), S. 2331-2336 
    Details
    ISSN: 1573-9171
    Keywords: molecular structure ; conformational analysis ; crystal structure ; X-ray structural analysis ; molecular mechanics ; (−)-3-(4-bromobenzylidene)-l-isopropyl-2-methoxy-4-methylcyclohexene
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract (−)-3-(4-Bromobenzylidene)-1-isopropyl-2-methoxy-4-methylcyclohexene, capable of inducing spiral supramolecular ordering when introduced to nematic and some smectic mesophases, has been studied by an X-ray structural analysis. The crystals are orthorhombic; at 20 °Ca = 6.055(1),b = 13.282(3),c=20.734(4) Å,V=1668(1) Å3,d calc = 1.380 g cm−3, space groupP2 12121 Z=4. The cyclohexene ring has a conformation intermediate between a sofa and a half-chair. The methyl and methoxyl groups are in asyn orientation with respect to the mean plane of the cycle. The angle between the plane of the aryl substituent and the exocyclic double bond is 33°. The observed distortions of bond angles at unsaturated carbon atoms are typical of derivatives of benzylidenecyclohexene. Molecular mechanics calculations demonstrated that the conformation observed in the crystalline state is not the most favorable, and this conformation is stabilized through intermolecular interactions upon stacking in crystals. It was shown that the relative orientation of the methyl and methoxyl groups as well as the orientation of the aryl substituent substantially affect the conformation of the cyclohexene ring.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00713603
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  • 2
    Electronic Resource
    Electronic Resource
    Synthesis and structure of 6-chloro-2,3-trimethylene-4-phenylquinoline (1996)
    Springer
    Russian chemical bulletin 45 (1996), S. 1711-1713 
    Details
    ISSN: 1573-9171
    Keywords: 6-chloro-2,3-trimethylene-4-phenylquinoline ; X-ray structural analysis ; molecular structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract An X-ray structural investigation of 6-chloro- 2,3-trimethylene-4- phe nylquinoli ne obtained by the reaction of 2-amino-5-chlorobenzophenone with cyclopentanone was carried out. At 20 °C, a = 23.750,b = 9,242, c = 14.018 A, β = 112,68° space group (21c,Z = 8, 2647 reflections,R = 0.047 He five-membered ring has an envelope conformation Conjugation between the quinohne fragment and the phenyl substituent is significantly distorted dm to the rotation of the latter by -62.9°
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01431812
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  • 3
    Electronic Resource
    Electronic Resource
    Synthesis and X-ray structural investigation of 6-chloro-10-phenyl-1,2,3,4-tetrahydroacridine (1994)
    Springer
    Russian chemical bulletin 43 (1994), S. 1390-1391 
    Details
    ISSN: 1573-9171
    Keywords: 6-chloro-10-phenyl-1,2,3,4-tetrahydroacridine ; molecular structure ; X-ray structural analysis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract An X-ray structural study of 6-chloro-10-phenyl-1,2,3,4-tetrahydroacridine prepared by the reaction of cyclohexanone with 2-amino-5-chlorobenzofenone was carried out. At 20°Ca=24.215(6),b=8.967(2),c=15.006(3) Å, β=115.57(2)°,V= 2939(1) Å3,d calc=1.310 g cm−3,Z=4, space groupC2/c, 1324 reflections, λMoKα,R=0.038. The cyclohexene ring has a half-chair conformation. The phenyl substituent is rotated 71.2° with respect to the plane of the quinoline fragment.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00703701
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