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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....

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Autores principales: Amudha, M., Kumar, P. Praveen, Chakkaravarthi, G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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.
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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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