Syntheses and physical properties of ferrocene derivatives (VI) crystal structure of a liquid crystalline ferrocene derivative, [4-[6-(cholesteryloxycarbonyl)hexyloxycarbonyl]phenyl]ferrocene

The structure of monosubstituted ferrocene derivative which has a flexible spacer between the ferrocene and the mesogenic group, [4-[6-(cholesteryloxycarbonyl)hexyloxycarbonyl]phenyl]ferrocene was determined by the X-ray diffraction method. The two crystallographically unequivalent molecules A and B exist in the unit cell. The molecular geometry is almost extended and linear, and the two cyclopentadienyl rings exhibit an eclipsed conformation rather than a staggered one in both molecules. The gauche conformation at the ferrocenyl side end of the hexyl chain in molecule B can be lead to efficient packing, in which the tetracyclic cores overlap antiparallel as well as avoid close contact with ferrocene in molecule A. The molecules are arranged in layers which is layers which is a precursor to a smectic phase.