A. Leadbetter, M. Mazid
Mar 1, 1981
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Influential Citations
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Journal
Molecular Crystals and Liquid Crystals
Abstract
Abstract The crystal and molecular structure of N-(4-n butyloxybenzylidene)-4'-octyl aniline (408), C25H35NO, has been determined at room temperature by direct methods. The crystals belong to the triclinic system with space group P1, a = 7.893(1), b = 11.472(2), c = 25.415(4)A, α = 90.41(2), β = 97.68(2) and γ = 105.95(2)[ddot] with four molecules per unit cell. The structure was refined by full-matrix least-squares calculations to R = 0.075 for 3896 observed reflections. In thetwosymmetry-independent molecules, the butyloxy and octyl chains are almost fuilyextended. The structure does not comprise a simple layer arrangement but is interdigitated with adjacent molecules in a head to tail configuration with alternate O atoms and C = N groups coplanar. The relationship between the crystal structure and that of the hexagonal bilayer smectic B phase to which it melts is also discussed.