Crystal and molecular structure of n-hexyloxyphenyl n-octyloxybenzoate

The X-ray crystal structure of n-hexyloxyphenyl n-octyloxybenzoate C₈H₁₇O-C₆H₄-COO-C₆H₄-OC₆H₁₃, which is a liquid-crystal compound, was determined. This compound forms smectic and nematic phases upon melting. A crystal-packing analysis revealed the following two types of structure-forming elements in the centrosymmetric pairs of molecules: a ??-stacking interaction and a C-H...??-system interaction. In the pairs of molecules linked by the latter type of interactions, there are two such interactions per pair, whereas one interaction occurs per pair of molecules linked by a ??-stacking interaction. Hence, the former pair of molecules is more stabilized through weak directional interactions than the latter pair.