Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Haque, Rosenani A., Iqbal, Muhammad Adnan, Fun, Hoong-Kun, Arshad, Suhana
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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
_version_ 1782231872100630528
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
work_keys_str_mv AT haquerosenania 3312phenylenebismethylenebis1octylbenzimidazoliumdibromidemonohydrate
AT iqbalmuhammadadnan 3312phenylenebismethylenebis1octylbenzimidazoliumdibromidemonohydrate
AT funhoongkun 3312phenylenebismethylenebis1octylbenzimidazoliumdibromidemonohydrate
AT arshadsuhana 3312phenylenebismethylenebis1octylbenzimidazoliumdibromidemonohydrate