Crystal structure and packing analysis of the liquid crystal dimer alpha, omega - bis(4-cyanobiphenyl-4'-yloxy)octane

Malpezzi, Luciana, Bruckner, Sergio, Ferro, Dino R. and Luckhurst, Geoffrey R. (2001) Crystal structure and packing analysis of the liquid crystal dimer alpha, omega - bis(4-cyanobiphenyl-4'-yloxy)octane. Liquid Crystals, 28 (3), 357-363. (doi:10.1080/02678290010010824).

Abstract

The crystal structure of the liquid crystal dimer alpha,omega -bis(4-cyanobiphenyl-4'-yloxy)octane has been determined from diffraction data obtained with synchrotron radiation. The structure is triclinic, with the space group P-1 with Z = 2 and the unit cell parameters are a = 7.135(5) Angstrom, b = 12.811(5) Angstrom, c = 15.639(5) Angstrom, alpha = 75.800(5)degrees, beta = 84.690(5)degrees, gamma = 77.930(5)degrees. The flexible spacer linking the mesogenic groups is in the all-trans-conformation. Although the molecule has a potential centre of symmetry, it occupies a general position in the cell; this unusual behaviour has been investigated with the aid of a theoretical evaluation of the packing energy.

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