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

The asymmetric unit of the title compound, C(16)H(14)F(3)N(3)OS·H(2)O, 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 pyridi...

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Detalles Bibliográficos
Autores principales: Ren, Guo-Bin, Hong, Ming-Huang, Zhong, Jia-Liang, Yi, Dong-Xu, Xu, Le-Hui
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051707/
https://www.ncbi.nlm.nih.gov/pubmed/21522962
http://dx.doi.org/10.1107/S1600536810053730
Descripción
Sumario:The asymmetric unit of the title compound, C(16)H(14)F(3)N(3)OS·H(2)O, 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)° in mol­ecules A and B, respectively. The water mol­ecules are involved in formation of two independent hydrogen-bonded chains via N—H⋯O and O—H⋯N hydrogen bonds. Chains propagating along the a axis are formed by mol­ecule A 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 π–π inter­actions, as indicated by short distances of 3.607 (3) and 3.701 (3) Å between the centroids of the imidazole and pyridine rings of neighbouring mol­ecules.