Cargando…
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...
Autores principales: | , , , , |
---|---|
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 |
_version_ | 1782199532573949952 |
---|---|
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]. |
format | Text |
id | pubmed-3051663 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT ziaullamohamed 24methylsulfanylphenyl1hbenzimidazol3iumbromide AT manjunathamn 24methylsulfanylphenyl1hbenzimidazol3iumbromide AT sankolliravish 24methylsulfanylphenyl1hbenzimidazol3iumbromide AT nagasundarakr 24methylsulfanylphenyl1hbenzimidazol3iumbromide AT begumnoorshahina 24methylsulfanylphenyl1hbenzimidazol3iumbromide |