Single- crystal X- ray structure analysis has been performed for symmetrical 1,1'-disubstituted ferrocene derivative. This compound exhibits liquid crystallinity as a function of temperature with nematic and smectic liquid- crystalline phases. The X- ray structure analysis revealed that two substituents existed in the same directions, and as such induced the cis conformation ("U'' shape) of the molecule. The molecules in the unit cell are arranged in a bookshelf manner. Within each layer, CH-pi intermolecular interaction was observed at the substituents between neighboring molecules. It is considered that this interaction plays a predominant role in stabilizing the crystal packing arrangement and the mesomorphism.