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

A. M. Babu, S. B. Bellad, M. A. Sridhar, A. Indira, M. S. Madhava and J. Shashidhara Prasad


The compound C23O2H42 crystallizes in the triclinic space group P1 with a = 5.5478(2) Å, b = 9.7768(3) Å, c = 10.6846(2) Å, α = 96.428(3)°, β = 94.161(4)°, τ = 103.807(3)° and one molecule per unit cell. Dcalc = 1.047 Mg · m−3. The structure was solved by direct methods (SOLVER-NRCVAX1) using 1611 observed reflections [I > 2σ(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)°. 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.

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Zeitschrift für Kristallographie – Crystalline Materials offers a place for researchers to present results of their crystallographic studies. The journal includes theoretical as well as experimental research. It publishes Original Papers, Letters and Review Articles in manifold areas of crystallography.