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3,3′-[1,2-Phenylenebis(methylene)]bis(1-octylbenzimidazolium) dibromide monohydrate
In the title hydrated molecular salt, C(38)H(52)N(4) (2+)·2Br(−)·H(2)O, the central benzene ring of the dication makes dihedral angles of 89.47 (13) and 72.69 (12)° with the pendant benzimidazol-3-ium rings. The conformations of the octyl side chains are completely different. In the crystal, the co...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343909/ https://www.ncbi.nlm.nih.gov/pubmed/22589990 http://dx.doi.org/10.1107/S1600536812008331 |
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author | Haque, Rosenani A. Iqbal, Muhammad Adnan Fun, Hoong-Kun Arshad, Suhana |
author_facet | Haque, Rosenani A. Iqbal, Muhammad Adnan Fun, Hoong-Kun Arshad, Suhana |
author_sort | Haque, Rosenani A. |
collection | PubMed |
description | In the title hydrated molecular salt, C(38)H(52)N(4) (2+)·2Br(−)·H(2)O, the central benzene ring of the dication makes dihedral angles of 89.47 (13) and 72.69 (12)° with the pendant benzimidazol-3-ium rings. The conformations of the octyl side chains are completely different. In the crystal, the components are linked by O—H⋯Br, C—H⋯Br and C—H⋯O hydrogen bonds into a two-dimensional network lying parallel to the ac plane. Aromatic π–π stacking interactions are also observed [shortest centroid-to-centroid separation = 3.5047 (16) Å]. |
format | Online Article Text |
id | pubmed-3343909 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33439092012-05-15 3,3′-[1,2-Phenylenebis(methylene)]bis(1-octylbenzimidazolium) dibromide monohydrate Haque, Rosenani A. Iqbal, Muhammad Adnan Fun, Hoong-Kun Arshad, Suhana Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title hydrated molecular salt, C(38)H(52)N(4) (2+)·2Br(−)·H(2)O, the central benzene ring of the dication makes dihedral angles of 89.47 (13) and 72.69 (12)° with the pendant benzimidazol-3-ium rings. The conformations of the octyl side chains are completely different. In the crystal, the components are linked by O—H⋯Br, C—H⋯Br and C—H⋯O hydrogen bonds into a two-dimensional network lying parallel to the ac plane. Aromatic π–π stacking interactions are also observed [shortest centroid-to-centroid separation = 3.5047 (16) Å]. International Union of Crystallography 2012-03-03 /pmc/articles/PMC3343909/ /pubmed/22589990 http://dx.doi.org/10.1107/S1600536812008331 Text en © Haque 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 Haque, Rosenani A. Iqbal, Muhammad Adnan Fun, Hoong-Kun Arshad, Suhana 3,3′-[1,2-Phenylenebis(methylene)]bis(1-octylbenzimidazolium) dibromide monohydrate |
title | 3,3′-[1,2-Phenylenebis(methylene)]bis(1-octylbenzimidazolium) dibromide monohydrate |
title_full | 3,3′-[1,2-Phenylenebis(methylene)]bis(1-octylbenzimidazolium) dibromide monohydrate |
title_fullStr | 3,3′-[1,2-Phenylenebis(methylene)]bis(1-octylbenzimidazolium) dibromide monohydrate |
title_full_unstemmed | 3,3′-[1,2-Phenylenebis(methylene)]bis(1-octylbenzimidazolium) dibromide monohydrate |
title_short | 3,3′-[1,2-Phenylenebis(methylene)]bis(1-octylbenzimidazolium) dibromide monohydrate |
title_sort | 3,3′-[1,2-phenylenebis(methylene)]bis(1-octylbenzimidazolium) dibromide monohydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343909/ https://www.ncbi.nlm.nih.gov/pubmed/22589990 http://dx.doi.org/10.1107/S1600536812008331 |
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