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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
Author(s) -
Okabe Takashi,
Nakazaki Keisuke,
Igaue Tsuyoshi,
Nakamura Naotake,
Donnio Bertrand,
Guillon Daniel,
Gallani JeanLouis
Publication year - 2009
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889808042039
Subject(s) - ferrocene , stacking , crystallography , liquid crystal , crystal structure , chemistry , derivative (finance) , diffraction , crystal (programming language) , molecule , liquid crystalline , phase (matter) , stereochemistry , materials science , organic chemistry , electrochemistry , physics , programming language , optoelectronics , electrode , computer science , financial economics , optics , economics
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.