화학공학소재연구정보센터
Molecular Crystals and Liquid Crystals, Vol.460, 85-92, 2006
Synthesis and physical properties of ferrocene derivatives (XVIII): Crystal structure of a liquid-crystalline ferrocene derivative, 10-[4-(4-methoxyphenoxycarbonyl)phenoxycarbonyl] decyl 4-ferrocenylbenzoate
The molecular and crystal structures of the title compound, which exhibited smectic C and nematic phases, have been determined by direct methods using single-crystal X-ray diffraction data. The structure was orthorhombic with the space group Pbca and Z = 8. The two cyclopentadienyl rings were art eclipsed conformation, and the flexible spacer was an all-trans conformation, but the molecule was slightly bowshaped. Additionally, the molecules were packed in an antiparallel fashion, and two molecules had become a pair except for a ferrocenyl moiety. The molecules were in. a head-to-head arrangement between contiguity layers and formed a layer structure similar to that of a smectic one. Also, dipole-dipole interaction of carbonyl groups was seen between neighboring molecules.