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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...

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Autores principales: Iqbal, Muhammad Adnan, Haque, Rosenani A., Fun, Hoong-Kun, Chia, Tze Shyang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
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].
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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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