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3,3′-[1,2-Phenylenebis(methylene)]bis(1-propylbenzimidazolium) dibromide hemihydrate
The asymmetric unit of the title compound, C(28)H(32)N(4) (2+)·2Br(−)·0.5H(2)O, contains one 3,3′-[1,2-phenylenebis(methylene)]bis(1-propylbenzimidazolium) cation, two bromide anions and one half-molecule of water. In the crystal, the whole 3,3′-[1,2-phenylenebis(methylene)]bis(1-propylben...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2012
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275219/ https://www.ncbi.nlm.nih.gov/pubmed/22347075 http://dx.doi.org/10.1107/S1600536812001596 |
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author | Iqbal, Muhammad Adnan Haque, Rosenani A. Fun, Hoong-Kun Chia, Tze Shyang |
author_facet | Iqbal, Muhammad Adnan Haque, Rosenani A. Fun, Hoong-Kun Chia, Tze Shyang |
author_sort | Iqbal, Muhammad Adnan |
collection | PubMed |
description | The asymmetric unit of the title compound, C(28)H(32)N(4) (2+)·2Br(−)·0.5H(2)O, contains one 3,3′-[1,2-phenylenebis(methylene)]bis(1-propylbenzimidazolium) cation, two bromide anions and one half-molecule of water. In the crystal, the whole 3,3′-[1,2-phenylenebis(methylene)]bis(1-propylbenzimidazolium) cation and one of the bromide anions are each disordered over two positions with site-occupancy ratios of 0.751 (6):0.249 (6) and 0.680 (8):0.320 (8). For the major component of the disordered cation, the central benzene ring forms dihedral angles of 83.6 (5) and 88.2 (4)° with its adjacent imidazole rings, while these angles for the minor component are 89.2 (15) and 84.9 (13)°. In the crystal, the cations and anions are linked by C—H⋯Br hydrogen bonds into dimers and then stacked along the c axis. The crystal packing is further stabilized by C—H⋯π and π–π interactions [shortest centroid–centroid distance = 3.646 (4) Å]. |
format | Online Article Text |
id | pubmed-3275219 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32752192012-02-15 3,3′-[1,2-Phenylenebis(methylene)]bis(1-propylbenzimidazolium) dibromide hemihydrate Iqbal, Muhammad Adnan Haque, Rosenani A. Fun, Hoong-Kun Chia, Tze Shyang Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(28)H(32)N(4) (2+)·2Br(−)·0.5H(2)O, contains one 3,3′-[1,2-phenylenebis(methylene)]bis(1-propylbenzimidazolium) cation, two bromide anions and one half-molecule of water. In the crystal, the whole 3,3′-[1,2-phenylenebis(methylene)]bis(1-propylbenzimidazolium) cation and one of the bromide anions are each disordered over two positions with site-occupancy ratios of 0.751 (6):0.249 (6) and 0.680 (8):0.320 (8). For the major component of the disordered cation, the central benzene ring forms dihedral angles of 83.6 (5) and 88.2 (4)° with its adjacent imidazole rings, while these angles for the minor component are 89.2 (15) and 84.9 (13)°. In the crystal, the cations and anions are linked by C—H⋯Br hydrogen bonds into dimers and then stacked along the c axis. The crystal packing is further stabilized by C—H⋯π and π–π interactions [shortest centroid–centroid distance = 3.646 (4) Å]. International Union of Crystallography 2012-01-21 /pmc/articles/PMC3275219/ /pubmed/22347075 http://dx.doi.org/10.1107/S1600536812001596 Text en © Iqbal 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 Iqbal, Muhammad Adnan Haque, Rosenani A. Fun, Hoong-Kun Chia, Tze Shyang 3,3′-[1,2-Phenylenebis(methylene)]bis(1-propylbenzimidazolium) dibromide hemihydrate |
title | 3,3′-[1,2-Phenylenebis(methylene)]bis(1-propylbenzimidazolium) dibromide hemihydrate |
title_full | 3,3′-[1,2-Phenylenebis(methylene)]bis(1-propylbenzimidazolium) dibromide hemihydrate |
title_fullStr | 3,3′-[1,2-Phenylenebis(methylene)]bis(1-propylbenzimidazolium) dibromide hemihydrate |
title_full_unstemmed | 3,3′-[1,2-Phenylenebis(methylene)]bis(1-propylbenzimidazolium) dibromide hemihydrate |
title_short | 3,3′-[1,2-Phenylenebis(methylene)]bis(1-propylbenzimidazolium) dibromide hemihydrate |
title_sort | 3,3′-[1,2-phenylenebis(methylene)]bis(1-propylbenzimidazolium) dibromide hemihydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275219/ https://www.ncbi.nlm.nih.gov/pubmed/22347075 http://dx.doi.org/10.1107/S1600536812001596 |
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