Molecular and crystal structure of mesomorphic para-n-hexyloxybenzoic acid

The triclinic modification of para-n-hexyloxybenzoic acid is studied using X-ray diffraction analysis (MoK α radiation) at 120 K. The crystallographic parameters of the compound are as follows: space group, $$P\overline 1 $$ a = 7.8854(4) A, b = 14.3021(7) A, c = 33.0513(16) A, α = 88.738(1)°, β = 85.701(1)°, γ = 78.331(1)°, and Z = 12. The asymmetric unit of the crystal contains six molecules of the acid with different orientations of the aliphatic chain. In the crystal, the molecules are joined into dimers by hydrogen bonds between the carboxyl groups. The crystal packing is built on the principle of the separation of aromatic and aliphatic regions.