Crystal structure of 4-isothiocyanato phenyl 4-pentylbicyclo2,2,2]octane-1-carboxylate

Sridhar, M. A. and Lokanath, N. K. and Krishnegowda, D. and Revanasiddaiah, D. and Shashidhara Prasad, J. (1997) Crystal structure of 4-isothiocyanato phenyl 4-pentylbicyclo2,2,2]octane-1-carboxylate. Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, 299 (1). pp. 509-515.

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Official URL: https://doi.org/10.1080/10587259708042035

Abstract

4-isothiocyanato phenyl 4-pentylbicyclo2,2,2]octane-1-carboxylate, C21H27O2NS is a nematogen containing an unusual eight membered ring in the rigid core. The compound crystallizes into the triclinic system <P(1)over bar> with a = 9.8969(1) Angstrom, b = 42.911(8) A, c = 9.877(2) Angstrom, alpha = 92.86(2)degrees, beta = 103.79(1)degrees, gamma = 94.43(1)degrees, V = 4051.3(1) Angstrom(3), Z = 2. The data were collected using MoKalpha radiation (lambda = 0.71073 Angstrom) at T = 300K. The structure was solved by direct methods using SHELXS-86 and refined to a final R and wR of 0.0688 and 0.1814 respectively using 2452 observed reflections with I > 2 sigma(I). The structure shows a layered packing down a-axis and imbrication along the other two axes. The crystal structure throws light on the liquid crystalline behaviour of the compound.

Item Type: Article
Additional Information: 16th International Liquid Crystal Conference, KENT STATE UNIV, KENT, OH, JUN 24-28, 1996
Subjects: D Physical Science > Physics
Divisions: Department of > Physics
Depositing User: Users 23 not found.
Date Deposited: 27 May 2021 08:44
Last Modified: 07 Jul 2022 10:52
URI: http://eprints.uni-mysore.ac.in/id/eprint/16656

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