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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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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
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author Chen, Yu-Feng
Chen, Jin-Yao
Hong, Ming-Huang
Lu, Jie
Ren, Guo-Bin
author_facet Chen, Yu-Feng
Chen, Jin-Yao
Hong, Ming-Huang
Lu, Jie
Ren, Guo-Bin
author_sort Chen, Yu-Feng
collection PubMed
description 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.
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spelling pubmed-33932852012-07-17 2-{[3-Methyl-4-(2,2,2-trifluoro­eth­oxy)pyridin-2-yl]methyl­sulfan­yl}-1H-benzimidazole monohydrate: a monoclinic polymorph Chen, Yu-Feng Chen, Jin-Yao Hong, Ming-Huang Lu, Jie Ren, Guo-Bin Acta Crystallogr Sect E Struct Rep Online Organic Papers 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. International Union of Crystallography 2012-06-13 /pmc/articles/PMC3393285/ /pubmed/22807842 http://dx.doi.org/10.1107/S1600536812022131 Text en © Chen et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Chen, Yu-Feng
Chen, Jin-Yao
Hong, Ming-Huang
Lu, Jie
Ren, Guo-Bin
2-{[3-Methyl-4-(2,2,2-trifluoro­eth­oxy)pyridin-2-yl]methyl­sulfan­yl}-1H-benzimidazole monohydrate: a monoclinic polymorph
title 2-{[3-Methyl-4-(2,2,2-trifluoro­eth­oxy)pyridin-2-yl]methyl­sulfan­yl}-1H-benzimidazole monohydrate: a monoclinic polymorph
title_full 2-{[3-Methyl-4-(2,2,2-trifluoro­eth­oxy)pyridin-2-yl]methyl­sulfan­yl}-1H-benzimidazole monohydrate: a monoclinic polymorph
title_fullStr 2-{[3-Methyl-4-(2,2,2-trifluoro­eth­oxy)pyridin-2-yl]methyl­sulfan­yl}-1H-benzimidazole monohydrate: a monoclinic polymorph
title_full_unstemmed 2-{[3-Methyl-4-(2,2,2-trifluoro­eth­oxy)pyridin-2-yl]methyl­sulfan­yl}-1H-benzimidazole monohydrate: a monoclinic polymorph
title_short 2-{[3-Methyl-4-(2,2,2-trifluoro­eth­oxy)pyridin-2-yl]methyl­sulfan­yl}-1H-benzimidazole monohydrate: a monoclinic polymorph
title_sort 2-{[3-methyl-4-(2,2,2-trifluoro­eth­oxy)pyridin-2-yl]methyl­sulfan­yl}-1h-benzimidazole monohydrate: a monoclinic polymorph
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393285/
https://www.ncbi.nlm.nih.gov/pubmed/22807842
http://dx.doi.org/10.1107/S1600536812022131
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