Crystal structure of mesogenic material – 2-(4′-Undecoxy phenyl)-5-N-hexyl pyrimidine

Babu, A. M. and Bellad, S. B. and Sridhar, M. A. and Indira, A. and Madhava, M. S. and Shashidhara Prasad, J. (1992) Crystal structure of mesogenic material – 2-(4′-Undecoxy phenyl)-5-N-hexyl pyrimidine. Zeitschrift Fur Kristallographie, 202 (1-2). pp. 25-32.

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The title compound, C27H42N2O, exhibits a highly ordered smectic phase in the range 43-61.5-degrees-C while heating and 61.5-37.5-degrees-C while cooling. It crystallizes in the monoclinic system, space group P n, with two antiparallel molecules comprising the asymmetric unit. The unit cell parameters are a = 7.195(3) angstrom, b = 8.976(3) angstrom, c = 39.861(11) angstrom, beta = 86.349(5), Z = 4; D(c) = 1.062 Mg . m-3; Cu Kalpha radiation; mu = 0.46 mm-1. The structure was solved by direct methods (MULTAN80) using 3229 observed reflections I > 2.5 sigma(I)] and refined by block-diagonal and full-matrix least-squares method to Rf = 0.076 (Rw = 0.075). The molecules with extended chains show layered packing.

Item Type: Article
Subjects: D Physical Science > Physics
Divisions: Department of > Physics
Depositing User: Users 23 not found.
Date Deposited: 13 May 2021 03:52
Last Modified: 08 Dec 2022 10:45

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