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2-(4-Methyl­sulfanylphen­yl)-1H-benzimidazol-3-ium bromide

In the cation of the title compound, C(14)H(13)N(2)S(+)·Br(−), the essentially planar benzimidazole system (r.m.s. deviation = 0.0082 Å) is substituted with a 4-methyl­sulfanylphenyl ring. The dihedral angle between the benzimidazole system and the 4-methyl­sulfanylphenyl ring is 2.133 (2)°. The cry...

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Autores principales: Ziaulla, Mohamed, Manjunatha, M. N., Sankolli, Ravish, Nagasundara, K. R., Begum, Noor Shahina
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051663/
https://www.ncbi.nlm.nih.gov/pubmed/21523024
http://dx.doi.org/10.1107/S1600536811000146
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author Ziaulla, Mohamed
Manjunatha, M. N.
Sankolli, Ravish
Nagasundara, K. R.
Begum, Noor Shahina
author_facet Ziaulla, Mohamed
Manjunatha, M. N.
Sankolli, Ravish
Nagasundara, K. R.
Begum, Noor Shahina
author_sort Ziaulla, Mohamed
collection PubMed
description In the cation of the title compound, C(14)H(13)N(2)S(+)·Br(−), the essentially planar benzimidazole system (r.m.s. deviation = 0.0082 Å) is substituted with a 4-methyl­sulfanylphenyl ring. The dihedral angle between the benzimidazole system and the 4-methyl­sulfanylphenyl ring is 2.133 (2)°. The crystal structure is characterized by strong and highly directional inter­molecular N—H⋯Br hydrogen bonds involving the bromide ion. Moreover, C—H⋯S inter­actions result in chains of mol­ecules along the c axis. The supra­molecular assembly is further stabilized by π–π stacking inter­actions between the benzimidazole system and 4-methyl­sulfanylphenyl rings [centroid–centroid distance = 3.477 (4) Å].
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spelling pubmed-30516632011-04-26 2-(4-Methyl­sulfanylphen­yl)-1H-benzimidazol-3-ium bromide Ziaulla, Mohamed Manjunatha, M. N. Sankolli, Ravish Nagasundara, K. R. Begum, Noor Shahina Acta Crystallogr Sect E Struct Rep Online Organic Papers In the cation of the title compound, C(14)H(13)N(2)S(+)·Br(−), the essentially planar benzimidazole system (r.m.s. deviation = 0.0082 Å) is substituted with a 4-methyl­sulfanylphenyl ring. The dihedral angle between the benzimidazole system and the 4-methyl­sulfanylphenyl ring is 2.133 (2)°. The crystal structure is characterized by strong and highly directional inter­molecular N—H⋯Br hydrogen bonds involving the bromide ion. Moreover, C—H⋯S inter­actions result in chains of mol­ecules along the c axis. The supra­molecular assembly is further stabilized by π–π stacking inter­actions between the benzimidazole system and 4-methyl­sulfanylphenyl rings [centroid–centroid distance = 3.477 (4) Å]. International Union of Crystallography 2011-01-12 /pmc/articles/PMC3051663/ /pubmed/21523024 http://dx.doi.org/10.1107/S1600536811000146 Text en © Ziaulla et al. 2011 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
Ziaulla, Mohamed
Manjunatha, M. N.
Sankolli, Ravish
Nagasundara, K. R.
Begum, Noor Shahina
2-(4-Methyl­sulfanylphen­yl)-1H-benzimidazol-3-ium bromide
title 2-(4-Methyl­sulfanylphen­yl)-1H-benzimidazol-3-ium bromide
title_full 2-(4-Methyl­sulfanylphen­yl)-1H-benzimidazol-3-ium bromide
title_fullStr 2-(4-Methyl­sulfanylphen­yl)-1H-benzimidazol-3-ium bromide
title_full_unstemmed 2-(4-Methyl­sulfanylphen­yl)-1H-benzimidazol-3-ium bromide
title_short 2-(4-Methyl­sulfanylphen­yl)-1H-benzimidazol-3-ium bromide
title_sort 2-(4-methyl­sulfanylphen­yl)-1h-benzimidazol-3-ium bromide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051663/
https://www.ncbi.nlm.nih.gov/pubmed/21523024
http://dx.doi.org/10.1107/S1600536811000146
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