2-Thio­ureido-1H-benzimidazol-3-ium chloride monohydrate

In the title compound, C(8)H(9)N(4)S(+)·Cl(−)·H(2)O, the cation is approximately planar, with a dihedral angle of 7.71 (8)° between the mean planes of the benzo­imidazole ring system and the thio­urea unit. In the crystal, cations, anions and water molecules of crystallization are linked by O—H⋯Cl,...

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Detalles Bibliográficos
Autores principales: Sundaresan, C. N., Singh, Dheeraj Kumar, Nanubolu, Jagadeesh Babu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4011228/
https://www.ncbi.nlm.nih.gov/pubmed/24860361
http://dx.doi.org/10.1107/S1600536814006837
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author Sundaresan, C. N.
Singh, Dheeraj Kumar
Nanubolu, Jagadeesh Babu
author_facet Sundaresan, C. N.
Singh, Dheeraj Kumar
Nanubolu, Jagadeesh Babu
author_sort Sundaresan, C. N.
collection PubMed
description In the title compound, C(8)H(9)N(4)S(+)·Cl(−)·H(2)O, the cation is approximately planar, with a dihedral angle of 7.71 (8)° between the mean planes of the benzo­imidazole ring system and the thio­urea unit. In the crystal, cations, anions and water molecules of crystallization are linked by O—H⋯Cl, N—H⋯O, N—H⋯Cl and N—H⋯S hydrogen bonds into a three-dimensional network. π–π stacking is observed between the benzene and imidazole rings of neighbouring mol­ecules, the centroid–centroid distance being 3.5774 (11) Å.
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spelling pubmed-40112282014-05-23 2-Thio­ureido-1H-benzimidazol-3-ium chloride monohydrate Sundaresan, C. N. Singh, Dheeraj Kumar Nanubolu, Jagadeesh Babu Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(8)H(9)N(4)S(+)·Cl(−)·H(2)O, the cation is approximately planar, with a dihedral angle of 7.71 (8)° between the mean planes of the benzo­imidazole ring system and the thio­urea unit. In the crystal, cations, anions and water molecules of crystallization are linked by O—H⋯Cl, N—H⋯O, N—H⋯Cl and N—H⋯S hydrogen bonds into a three-dimensional network. π–π stacking is observed between the benzene and imidazole rings of neighbouring mol­ecules, the centroid–centroid distance being 3.5774 (11) Å. International Union of Crystallography 2014-04-16 /pmc/articles/PMC4011228/ /pubmed/24860361 http://dx.doi.org/10.1107/S1600536814006837 Text en © Sundaresan et al. 2014 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
Sundaresan, C. N.
Singh, Dheeraj Kumar
Nanubolu, Jagadeesh Babu
2-Thio­ureido-1H-benzimidazol-3-ium chloride monohydrate
title 2-Thio­ureido-1H-benzimidazol-3-ium chloride monohydrate
title_full 2-Thio­ureido-1H-benzimidazol-3-ium chloride monohydrate
title_fullStr 2-Thio­ureido-1H-benzimidazol-3-ium chloride monohydrate
title_full_unstemmed 2-Thio­ureido-1H-benzimidazol-3-ium chloride monohydrate
title_short 2-Thio­ureido-1H-benzimidazol-3-ium chloride monohydrate
title_sort 2-thio­ureido-1h-benzimidazol-3-ium chloride monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4011228/
https://www.ncbi.nlm.nih.gov/pubmed/24860361
http://dx.doi.org/10.1107/S1600536814006837
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