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Orthorhombic polymorph of 4-[(1H-benzimidazol-1-yl)methyl]benzoic acid
We reported recently the first polymorph of the title compound [Kuai & Cheng (2011a ▶). Acta Cryst., E67, o2787]. A second polymorph of the title compound, C(15)H(12)N(2)O(2), was unexpectedly obtained by the hydrothermal reaction of the title compound with manganese chloride in the presence of...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2011
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247413/ https://www.ncbi.nlm.nih.gov/pubmed/22220031 http://dx.doi.org/10.1107/S1600536811042838 |
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author | Kuai, Hai-Wei Cheng, Xiao-Chun |
author_facet | Kuai, Hai-Wei Cheng, Xiao-Chun |
author_sort | Kuai, Hai-Wei |
collection | PubMed |
description | We reported recently the first polymorph of the title compound [Kuai & Cheng (2011a ▶). Acta Cryst., E67, o2787]. A second polymorph of the title compound, C(15)H(12)N(2)O(2), was unexpectedly obtained by the hydrothermal reaction of the title compound with manganese chloride in the presence of potassium hydroxide at 413 K. The benzimidazole ring system is almost planar, with a maximum deviation from the mean plane of 0.015 (2) Å. The benzimidazole and benzene rings are inclined at a dihedral angle of 79.00 (1)°. In the crystal, adjacent molecules are connected through O—H⋯N hydrogen bonds into a one-dimensional chain along the [001] direction. |
format | Online Article Text |
id | pubmed-3247413 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32474132012-01-04 Orthorhombic polymorph of 4-[(1H-benzimidazol-1-yl)methyl]benzoic acid Kuai, Hai-Wei Cheng, Xiao-Chun Acta Crystallogr Sect E Struct Rep Online Organic Papers We reported recently the first polymorph of the title compound [Kuai & Cheng (2011a ▶). Acta Cryst., E67, o2787]. A second polymorph of the title compound, C(15)H(12)N(2)O(2), was unexpectedly obtained by the hydrothermal reaction of the title compound with manganese chloride in the presence of potassium hydroxide at 413 K. The benzimidazole ring system is almost planar, with a maximum deviation from the mean plane of 0.015 (2) Å. The benzimidazole and benzene rings are inclined at a dihedral angle of 79.00 (1)°. In the crystal, adjacent molecules are connected through O—H⋯N hydrogen bonds into a one-dimensional chain along the [001] direction. International Union of Crystallography 2011-10-22 /pmc/articles/PMC3247413/ /pubmed/22220031 http://dx.doi.org/10.1107/S1600536811042838 Text en © Kuai and Cheng 2011 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 Kuai, Hai-Wei Cheng, Xiao-Chun Orthorhombic polymorph of 4-[(1H-benzimidazol-1-yl)methyl]benzoic acid |
title | Orthorhombic polymorph of 4-[(1H-benzimidazol-1-yl)methyl]benzoic acid |
title_full | Orthorhombic polymorph of 4-[(1H-benzimidazol-1-yl)methyl]benzoic acid |
title_fullStr | Orthorhombic polymorph of 4-[(1H-benzimidazol-1-yl)methyl]benzoic acid |
title_full_unstemmed | Orthorhombic polymorph of 4-[(1H-benzimidazol-1-yl)methyl]benzoic acid |
title_short | Orthorhombic polymorph of 4-[(1H-benzimidazol-1-yl)methyl]benzoic acid |
title_sort | orthorhombic polymorph of 4-[(1h-benzimidazol-1-yl)methyl]benzoic acid |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247413/ https://www.ncbi.nlm.nih.gov/pubmed/22220031 http://dx.doi.org/10.1107/S1600536811042838 |
work_keys_str_mv | AT kuaihaiwei orthorhombicpolymorphof41hbenzimidazol1ylmethylbenzoicacid AT chengxiaochun orthorhombicpolymorphof41hbenzimidazol1ylmethylbenzoicacid |