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

Crystal structure and packing analysis of the liquid crystal dimer alpha, omega - bis(4-cyanobiphenyl-4'-yloxy)octane
Crystal structure and packing analysis of the liquid crystal dimer alpha, omega - bis(4-cyanobiphenyl-4'-yloxy)octane
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.
molecular mechanics, understand, behavior, refine
1366-5855
357-363
Malpezzi, Luciana
1ac30814-784f-47e6-8aa9-75dcf2eab6e6
Bruckner, Sergio
bfb04238-5753-4e89-a380-89d876f02f76
Ferro, Dino R.
2ad979d8-e085-40b8-88c8-19bb2240ea15
Luckhurst, Geoffrey R.
7807d1c6-54a1-414f-9abe-22de4d9c30f7
Malpezzi, Luciana
1ac30814-784f-47e6-8aa9-75dcf2eab6e6
Bruckner, Sergio
bfb04238-5753-4e89-a380-89d876f02f76
Ferro, Dino R.
2ad979d8-e085-40b8-88c8-19bb2240ea15
Luckhurst, Geoffrey R.
7807d1c6-54a1-414f-9abe-22de4d9c30f7

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).

Record type: Article

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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More information

Published date: 1 March 2001
Keywords: molecular mechanics, understand, behavior, refine

Identifiers

Local EPrints ID: 19572
URI: http://eprints.soton.ac.uk/id/eprint/19572
ISSN: 1366-5855
PURE UUID: af33f690-5baf-47a3-ad7f-16b99ba35eb0

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Date deposited: 15 Feb 2006
Last modified: 15 Jul 2019 19:27

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