X-ray diffraction studies of mesomorphic ferrocene diesters

Abstract

The crystal and molecular structure of 1,l ′-bis(4′-pentyloxybiphenyl)ferrocene dicarboxylate ester (1) has been determined by X-ray diffraction at 295 and 160K. The molecule is found to exist at both temperatures in an extended S geometry. The carboxyl groups are essentially coplanar with the cyclopentadienyl rings but almost perpendicular to the attached phenyl ring. Low angle X-ray diffraction of three diesters in the smectic phases were also studied. The results were not very definitive because of the lack of thermal stability for the monotropic phase behaviour. Nevertheless, the layer spacing of about 47 A for one of the compounds at 409K is consistent with the extended S shape conformation.