Crystal structure of mesogenic material–4′-n-pentyl cyclohexyl-(4-n-pentyl cyclohexane)-1-carboxylate

Babu, A. M. and Bellad, S. B. and Sridhar, M. A. and Indira, A. and Madhava, M. S. and Shashidhara Prasad, J. (1993) Crystal structure of mesogenic material–4′-n-pentyl cyclohexyl-(4-n-pentyl cyclohexane)-1-carboxylate. Zeitschrift Fur Kristallographie, 208 (1). pp. 49-55.

Full text not available from this repository. (Request a copy)


The compound C23O2H42 crystallizes in the triclinic space group P1 with a = 5.5478(2) angstrom, b = 9.7768(3) angstrom, c = 10.6846(2) angstrom, alpha = 96.428(3)degrees, beta = 94.161(4)degrees, tau = 103.807(3)degrees and one molecule per unit cell. D(calc) = 1.047 Mg . m-3. The structure was solved by direct methods (SOLVER-NRCVAX1) using 1611 observed reflections I > 2sigma(I)]. It was refined by block-diagonal and full-matrix least-squares method to a final R of 0.078. The molecule is almost stretched and linear. The angle between the mean planes of the cyclohexane rings is 3.87(2)degrees. The packing of the molecules exhibits a strong layering as required for a smectic liquid crystalline phase - the cyclohexane groups forming one line with the extended alkyl chains penetrating into the neighbouring layers.

Item Type: Article
Subjects: D Physical Science > Physics
Divisions: Department of > Physics
Depositing User: Users 23 not found.
Date Deposited: 04 May 2021 05:38
Last Modified: 07 Dec 2022 07:06

Actions (login required)

View Item View Item