2-{[3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl}-1H-benzimidazole monohydrate

被引:3
|
作者
Ren, Guo-Bin [1 ]
Hong, Ming-Huang [1 ]
Zhong, Jia-Liang [1 ]
Yi, Dong-Xu [1 ]
Xu, Le-Hui [1 ]
机构
[1] Shanghai Inst Pharmaceut Ind, Pharmaceut Crystal Engn Res Grp, Shanghai 200040, Peoples R China
关键词
LANSOPRAZOLE;
D O I
10.1107/S1600536810053730
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The asymmetric unit of the title compound, C16H14F3N3OS center dot-H2O, contains two independent molecules (A and B) and two water molecules, one of which is disordered over two positions in a 0.790 (8):0.210 (8) ratio. The molecular conformations are close, the benzimidazole mean plane and pyridine ring forming dihedral angles of 1.8 (3) and 0.1 (2)degrees in molecules A and B, respectively. The water molecules are involved in formation of two independent hydrogen-bonded chains via N-H center dot center dot center dot O and O-H center dot center dot center dot N hydrogen bonds. Chains propagating along the a axis are formed by molecule Lambda and one independent water molecule, while chains propagating along the b axis are formed by molecule B and the other independent water molecule. The crystal packing exhibits pi-pi interactions, as indicated by short distances of 3.607 (3) and 3.701 (3) angstrom between the centroids of the imidazole and pyridine rings of neighbouring molecules.
引用
收藏
页码:O270 / U1800
页数:13
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