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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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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/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. |
format | Online Article Text |
id | pubmed-3275026 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |