ISSN:
0021-8383
Keywords:
Chemistry
;
Organic Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
On the Conformational Behaviour of Substituted Phenylbenzoates - Molecular and Crystal Structure of the Nematogenic Compound 4′-(ß-Cyanoethyl)-phenyl-4-n-pentoxybenzoateThe title compound crystallizes in the monoclinic space group P21/n with a = 1567.6(2) pm, b = 915.5(1) pm, c = 1459.1(1) pm, β = 115.30(1)°, and four molecules per unit cell. The structure has been solved by direct methods and refined to R = 0.104. The molecules adopt a markedly stretched form and show a parallel arrangement of their long axes in the crystal lattice. The molecular and crystal structure is discussed in relation to the mesomorphic behaviour of the compound.A theoretical conformational analysis has been performed for the isolated phenylbenzoate molecule using the EPEN/2 method, its results are compared with the experimental torsion angles in a series of substituted phenylbenzoates.
Additional Material:
6 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/prac.19833250508
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