Crystal structure of 2-(4-chloro-3-fluoro­phen­yl)-1H-benzimidazole

In the title compound, C(13)H(8)ClFN(2), the dihedral angle between the plane of the benzimidazole ring system (r.m.s. deviation = 0.022 Å) and the benzene ring is 26.90 (8)°. The F atom at the meta position of the benzene ring is disordered over two sites in a 0.843 (4):0.157 (4) ratio. In the crys...

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Autores principales: Krishnamurthy, M. S., Begum, Noor Shahina
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459371/
https://www.ncbi.nlm.nih.gov/pubmed/26090181
http://dx.doi.org/10.1107/S2056989015008683
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author Krishnamurthy, M. S.
Begum, Noor Shahina
author_facet Krishnamurthy, M. S.
Begum, Noor Shahina
author_sort Krishnamurthy, M. S.
collection PubMed
description In the title compound, C(13)H(8)ClFN(2), the dihedral angle between the plane of the benzimidazole ring system (r.m.s. deviation = 0.022 Å) and the benzene ring is 26.90 (8)°. The F atom at the meta position of the benzene ring is disordered over two sites in a 0.843 (4):0.157 (4) ratio. In the crystal, mol­ecules are linked by N—H⋯N hydrogen bonds, forming infinite C(4) chains propagating along [010]. In addition, weak C—H⋯π and π–π inter­actions [shortest centroid–centroid separation = 3.6838 (12) Å] are observed, which link the chains into a three-dimensional network.
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spelling pubmed-44593712015-06-18 Crystal structure of 2-(4-chloro-3-fluoro­phen­yl)-1H-benzimidazole Krishnamurthy, M. S. Begum, Noor Shahina Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(13)H(8)ClFN(2), the dihedral angle between the plane of the benzimidazole ring system (r.m.s. deviation = 0.022 Å) and the benzene ring is 26.90 (8)°. The F atom at the meta position of the benzene ring is disordered over two sites in a 0.843 (4):0.157 (4) ratio. In the crystal, mol­ecules are linked by N—H⋯N hydrogen bonds, forming infinite C(4) chains propagating along [010]. In addition, weak C—H⋯π and π–π inter­actions [shortest centroid–centroid separation = 3.6838 (12) Å] are observed, which link the chains into a three-dimensional network. International Union of Crystallography 2015-05-09 /pmc/articles/PMC4459371/ /pubmed/26090181 http://dx.doi.org/10.1107/S2056989015008683 Text en © Krishnamurthy and Begum 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
Krishnamurthy, M. S.
Begum, Noor Shahina
Crystal structure of 2-(4-chloro-3-fluoro­phen­yl)-1H-benzimidazole
title Crystal structure of 2-(4-chloro-3-fluoro­phen­yl)-1H-benzimidazole
title_full Crystal structure of 2-(4-chloro-3-fluoro­phen­yl)-1H-benzimidazole
title_fullStr Crystal structure of 2-(4-chloro-3-fluoro­phen­yl)-1H-benzimidazole
title_full_unstemmed Crystal structure of 2-(4-chloro-3-fluoro­phen­yl)-1H-benzimidazole
title_short Crystal structure of 2-(4-chloro-3-fluoro­phen­yl)-1H-benzimidazole
title_sort crystal structure of 2-(4-chloro-3-fluoro­phen­yl)-1h-benzimidazole
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459371/
https://www.ncbi.nlm.nih.gov/pubmed/26090181
http://dx.doi.org/10.1107/S2056989015008683
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