Synthesis and physical properties of ferrocene derivatives. XXI. Crystal structure of a liquid crystalline ferrocene derivative, 1,1'‐bis[3‐[4‐(4‐methoxyphenoxycarbonyl)phenoxy]propyloxycarbonyl]ferrocene

The crystal structure of the title 1,1′‐disubstituted ferrocene derivative was determined by X‐ray diffraction using a single crystal. This compound exhibits a nematic phase only. The X‐ray structure analysis revealed that the two substituents lie in the same direction (`U' shape) and the flexible spacer adopts a gauche conformation. These conformations are strongly related to the formation of a rod‐like shape, which favors liquid crystalline behavior. In the crystal structure, C—H...π, π–π and T‐stacking interactions were observed. It is considered that these interactions play a major role in stabilizing the molecular packing arrangement and the mesomorphism.