1. Co-crystallization of a benzimidazole derivative with carboxylic acids.
- Author
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Zhai, Li-Hai, Guo, Li-Hong, Ling, Yang, Wu, Hon-Shuai, Wang, Jing-Wen, Sun, Bai-Wang, and Luo, Yang-Hui
- Subjects
BENZIMIDAZOLE derivatives ,CRYSTALLIZATION ,CARBOXYLIC acids ,MALEIC acid ,X-ray diffraction - Abstract
The co-crystallization of a benzimidazole derivative ( 1, CHNO, 3-[[[2-[[(4-Cyanophenyl) amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propionic acid ethyl ester), with fumaric acid (FA) and maleic acid (MA), has been performed. The FA and MA molecules, both are connected with two molecules of CHNO, giving birth to a three-components compound ( 1·0.5FA, CHNO) and a four-components compound ( 1·MA, CHNO). Single-crystal X-ray diffractions show that the three different planar moieties (4-cyanophenyl, benzimidazol, and pyridin-2-yl) in compound CHNO display ' cis-form' conformation ( a) in the crystal of 1, while exhibiting 'intermediate-state' conformation ( b) and ' trans-form' conformation ( c) in compounds 1·0.5FA and 1·MA, respectively. Hirshfeld surfaces analysis, DFT calculations, DSC measurements, IR and Raman spectroscopy were performed, which revealed that the thermal stability of the three conformations follows the order c > b > a. [ABSTRACT FROM AUTHOR]
- Published
- 2017
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