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Bis(2-trifluoro­methyl-1H-benzimidazol-3-ium) naphthalene-1,5-disulfonate

The asymmetric unit of the title compound, C(8)H(6)F(3)N(2) (+)·0.5C(10)H(6)O(6)S(2) (2−), consists of one 2-trifluoro­methyl-1H-benz­imidazol-3-ium cation and a half naphthalene-1,5-disulfate anion, which are linked by an N—H⋯O hydrogen bond. The anion sits across a centre of symmetry. The atoms of...

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Autor principal: Liu, Ming-Liang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275026/
https://www.ncbi.nlm.nih.gov/pubmed/22346971
http://dx.doi.org/10.1107/S1600536812000049
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author Liu, Ming-Liang
author_facet Liu, Ming-Liang
author_sort Liu, Ming-Liang
collection PubMed
description The asymmetric unit of the title compound, C(8)H(6)F(3)N(2) (+)·0.5C(10)H(6)O(6)S(2) (2−), consists of one 2-trifluoro­methyl-1H-benz­imidazol-3-ium cation and a half naphthalene-1,5-disulfate anion, which are linked by an N—H⋯O hydrogen bond. The anion sits across a centre of symmetry. The atoms of the benzimidazole ring are nearly coplanar (r.m.s. deviation of the fitted atoms = 0.0085 Å) and the triflouromethyl group lies out of this plane. In the crystal, the cations are linked to adjacent anions by N—H⋯O hydrogen bonds, forming a ladder structure parallel to the a axis in which the anions form the rungs. Adjacent ladders are linked by weak C—H⋯O inter­actions, forming sheets parallel to the ac plane.
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spelling pubmed-32750262012-02-15 Bis(2-trifluoro­methyl-1H-benzimidazol-3-ium) naphthalene-1,5-disulfonate Liu, Ming-Liang Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(8)H(6)F(3)N(2) (+)·0.5C(10)H(6)O(6)S(2) (2−), consists of one 2-trifluoro­methyl-1H-benz­imidazol-3-ium cation and a half naphthalene-1,5-disulfate anion, which are linked by an N—H⋯O hydrogen bond. The anion sits across a centre of symmetry. The atoms of the benzimidazole ring are nearly coplanar (r.m.s. deviation of the fitted atoms = 0.0085 Å) and the triflouromethyl group lies out of this plane. In the crystal, the cations are linked to adjacent anions by N—H⋯O hydrogen bonds, forming a ladder structure parallel to the a axis in which the anions form the rungs. Adjacent ladders are linked by weak C—H⋯O inter­actions, forming sheets parallel to the ac plane. International Union of Crystallography 2012-01-11 /pmc/articles/PMC3275026/ /pubmed/22346971 http://dx.doi.org/10.1107/S1600536812000049 Text en © Ming-Liang Liu 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
Liu, Ming-Liang
Bis(2-trifluoro­methyl-1H-benzimidazol-3-ium) naphthalene-1,5-disulfonate
title Bis(2-trifluoro­methyl-1H-benzimidazol-3-ium) naphthalene-1,5-disulfonate
title_full Bis(2-trifluoro­methyl-1H-benzimidazol-3-ium) naphthalene-1,5-disulfonate
title_fullStr Bis(2-trifluoro­methyl-1H-benzimidazol-3-ium) naphthalene-1,5-disulfonate
title_full_unstemmed Bis(2-trifluoro­methyl-1H-benzimidazol-3-ium) naphthalene-1,5-disulfonate
title_short Bis(2-trifluoro­methyl-1H-benzimidazol-3-ium) naphthalene-1,5-disulfonate
title_sort bis(2-trifluoro­methyl-1h-benzimidazol-3-ium) naphthalene-1,5-disulfonate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275026/
https://www.ncbi.nlm.nih.gov/pubmed/22346971
http://dx.doi.org/10.1107/S1600536812000049
work_keys_str_mv AT liumingliang bis2trifluoromethyl1hbenzimidazol3iumnaphthalene15disulfonate