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Mesogenic 4-Methoxyphenyl 4-Hexyloxybenzoate

W. Haase, H. Paulus, G. Strobl, W. Hotz. Acta Crystallographica C, Crystal Structure Communications 47, 2005-2006 (1991)


C20H24O4, M(r) = 328.4, monoclinic, P2(1)/c, a = 16.211 (4), b = 5.457 (2), c = 21.688 (5) angstrom, beta = 109.41 (1)-degrees, V = 1809.23 angstrom 3, Z = 4, D(x) = 1.205 g cm-3, lambda(Mo K-alpha) = 0.71073 angstrom, mu = 0.48 cm-1, F(000) = 704, T = 298 K, R = 0.0480 for 2094 independent reflections with \F(o)\ > 2-sigma(F(o)). The compound is fully extended with an all-trans conformation of the hexyloxy group. The phenyl ring of the benzoate group forms an interplanar angle of 66.1-degrees with the phenyl ring of the methoxyphenyl group. The dihedral angle between the best planes through the hexyloxy group and the attached phenyl group is 3.1-degrees. In the benzoate group the dihedral angle between the best planes through the phenyl group and carboxylato group is 7.4-degrees. In the crystalline state the molecules form layers parallel to (10-2).

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