The crystal and molecular structure of the nematogenic compound 4′‐cyanophenyl‐4‐n‐pentylcyclohexanoate

The crystal and molecular structure of the title compound with the formula C 5 H 11 – –C 6 H 10 –COO–C 6 H 4 –CN (CPPCH) has been determined by X‐ray diffraction methods. The compound crystallizes in the triclinic space group P1 with two molecules in a unit cell of dimensions a = 5.774 Å, b = 9.150 Å, c = 16.878 Å, α = 93.05°, β = 97.19°, γ = 93.58°. The structure has been solved by direct methods and refined to an R value of 0.059. The CPPCH molecule adopts a considerably stretched form. The planar bridging carboxylic group is inclined to the benzene ring by 67.3° and by 39.9° to a plane bisecting the cyclohexane ring through its 1 and 4 positions. In the crystal structure a parallel imbricated packing mode with antiparallel neighbouring molecules is approached.