Gonghua Pan, C. Zhang, T. Wang
Jan 2, 2016
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Journal
Molecular Crystals and Liquid Crystals
Abstract
ABSTRACT The title compound, (E)-2,2,2-trifluoro-N-[2-(2-nitrovinyl)phenyl]acetamide, was synthesized and characterized by 1H and 13C NMR and HRMS spectroscopy. Its molecular configuration was investigated by X-ray crystallography. The crystal structure analysis revealed that the structure exhibits intermolecular hydrogen bonds of the type N–H…O and intermolecular hydrogen bonds of the type N–H…F, and molecules are linked by weak C–H…O contacts. Furthermore, the two oxygen atoms of nitro group are disordered over two positions, respectively, with site occupancy factors of 0.8:0.2 and 0.6:0.4. Three fluorine atoms are also disordered over two positions, respectively, one fluorine atom with site occupancy factors of 0.6:0.4 and the other two fluorine atoms with site occupancy factors of 0.5:0.5.