Molecular Crystals and Liquid Crystals, Vol.383, 27-35, 2002
Syntheses and physical properties of ferrocene derivatives (XVI): Crystal structure of a liquid crystalline ferrocene derivative, 5-[4-(4-methoxyphenoxycarbonyl) phenoxycarbonyl] pentyl4-ferrocenylbenzoate
The crystal structure of a monosubstituted ferrocene derivative, 5-[4-(4-methoxyphenoxycarbonyl)phenoxycarbonyl]pentyl 4-ferrocenylbenzoate was determined by the X-ray diffraction method using a single crystal. The unit cell of the crystal contained two crystallographically unequivalent molecules, A and B. The -C5H10- chain introduced into molecules A and B as a flexible spacer was an all-trans conformation. Both molecules were slightly bent around the ester group located at the nearest neighbor of the ferrocenylbenzoate section, but the shape of the molecules could be regarded as rodlike. This compound was a nonliquid crystalline compound; however, its structure was similar to that of the homologues, which gave rise to smectic liquid crystalline phases.
Keywords:ferrocene;crystal structure;monosubstituted ferrocene derivative;metallomesogen;liquid crystal