Crystal structure and packing analysis of the liquid crystal dimer alpha,omega-bis(4-cyanobiphenyl-4-yloxy)octane |
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| Authors: | Luciana Malpezzi Sergio Brückner Dino R. Ferro Geoffrey R. Luckhurst |
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| Affiliation: | 1. Dipartimento di Chimica, Politecnico di Milano, via Mancinelli 7, I-20131 Milano, Italy;2. Dipartimento di Scienze e Tecnologie Chimiche, via Cotonificio 108, I-33100 Udine, Italy;3. Istituto di Chimica delle Macromolecole CNR, via E. Bassini 15, I-20133 Milano, Italy;4. Department of Chemistry and Southampton Liquid Crystal Institute, University of Southampton, Southhampton SO17 1BJ, UK |
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| Abstract: | The crystal structure of the liquid crystal dimer α,ω-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) Å, b= 12.811(5) Å, c= 15.639(5) Å, α= 75.800(5)°, β= 84.690(5)°, γ= 77.930(5)°. 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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| Keywords: | ester orientation binary mixture phase diagram polymorphism |
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