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Crystal structure of benzimidazolium salicylate
In the anion of the title molecular salt, C(7)H(7)N(2) (+)·C(7)H(5)O(3) (−) (systematic name: 1H-benzimidazol-3-ium 2-hydroxybenzoate), there is an intramolecular O—H⋯O hydrogen bond that generates an S(6) ring motif. The CO(2) group makes a dihedral angle of 5.33 (15)° with its attached ring....
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647433/ https://www.ncbi.nlm.nih.gov/pubmed/26594483 http://dx.doi.org/10.1107/S2056989015017764 |
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author | Amudha, M. Kumar, P. Praveen Chakkaravarthi, G. |
author_facet | Amudha, M. Kumar, P. Praveen Chakkaravarthi, G. |
author_sort | Amudha, M. |
collection | PubMed |
description | In the anion of the title molecular salt, C(7)H(7)N(2) (+)·C(7)H(5)O(3) (−) (systematic name: 1H-benzimidazol-3-ium 2-hydroxybenzoate), there is an intramolecular O—H⋯O hydrogen bond that generates an S(6) ring motif. The CO(2) group makes a dihedral angle of 5.33 (15)° with its attached ring. In the crystal, the dihedral angle between the benzimidazolium ring and the anion benzene ring is 75.88 (5)°. Two cations bridge two anions via two pairs of N—H⋯O hydrogen bonds, enclosing an R (4) (4)(16) ring motif, forming a four-membered centrosymmetric arrangement. These units are linked via C—H⋯O hydrogen bonds, forming chains propagating along the b-axis direction. The chains are linked by C—H⋯π and π–π interactions [inter-centroid distances = 3.4156 (7) and 3.8196 (8) Å], forming a three-dimensional structure. |
format | Online Article Text |
id | pubmed-4647433 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-46474332015-11-20 Crystal structure of benzimidazolium salicylate Amudha, M. Kumar, P. Praveen Chakkaravarthi, G. Acta Crystallogr E Crystallogr Commun Data Reports In the anion of the title molecular salt, C(7)H(7)N(2) (+)·C(7)H(5)O(3) (−) (systematic name: 1H-benzimidazol-3-ium 2-hydroxybenzoate), there is an intramolecular O—H⋯O hydrogen bond that generates an S(6) ring motif. The CO(2) group makes a dihedral angle of 5.33 (15)° with its attached ring. In the crystal, the dihedral angle between the benzimidazolium ring and the anion benzene ring is 75.88 (5)°. Two cations bridge two anions via two pairs of N—H⋯O hydrogen bonds, enclosing an R (4) (4)(16) ring motif, forming a four-membered centrosymmetric arrangement. These units are linked via C—H⋯O hydrogen bonds, forming chains propagating along the b-axis direction. The chains are linked by C—H⋯π and π–π interactions [inter-centroid distances = 3.4156 (7) and 3.8196 (8) Å], forming a three-dimensional structure. International Union of Crystallography 2015-09-26 /pmc/articles/PMC4647433/ /pubmed/26594483 http://dx.doi.org/10.1107/S2056989015017764 Text en © Amudha et al. 2015 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 | Data Reports Amudha, M. Kumar, P. Praveen Chakkaravarthi, G. Crystal structure of benzimidazolium salicylate |
title | Crystal structure of benzimidazolium salicylate |
title_full | Crystal structure of benzimidazolium salicylate |
title_fullStr | Crystal structure of benzimidazolium salicylate |
title_full_unstemmed | Crystal structure of benzimidazolium salicylate |
title_short | Crystal structure of benzimidazolium salicylate |
title_sort | crystal structure of benzimidazolium salicylate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647433/ https://www.ncbi.nlm.nih.gov/pubmed/26594483 http://dx.doi.org/10.1107/S2056989015017764 |
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