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

The title compound, C(16)H(14)F(3)N(3)OS·H(2)O, which had been previously characterized in the space group P-1 [Ren et al. (2011 ▶). Acta Cryst. E67, o270], has now been crystallized from 1-propanol in the monoclinic form in the space group P2(1)/c. While the triclinic form is a Z′ = 2 crystal, the...

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Detalles Bibliográficos
Autores principales: Chen, Yu-Feng, Chen, Jin-Yao, Hong, Ming-Huang, Lu, Jie, Ren, Guo-Bin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393285/
https://www.ncbi.nlm.nih.gov/pubmed/22807842
http://dx.doi.org/10.1107/S1600536812022131
Descripción
Sumario:The title compound, C(16)H(14)F(3)N(3)OS·H(2)O, which had been previously characterized in the space group P-1 [Ren et al. (2011 ▶). Acta Cryst. E67, o270], has now been crystallized from 1-propanol in the monoclinic form in the space group P2(1)/c. While the triclinic form is a Z′ = 2 crystal, the new monoclinic polymorph includes one main mol­ecule and one water lattice mol­ecule in the asymmetric unit. In the crystal, the water mol­ecule is sandwiched between neighboring main mol­ecules and behaves as both donor and acceptor in O—H⋯N and N—H⋯O hydrogen bonds with the imidazole N atoms. This pattern of chains parallel to [100] further inter­acts via O—H⋯N(pyridine) contacts.