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Benzoic acid–2,2′-biimidazole (2/1)
In the title compound, C(6)H(6)N(4)·2C(7)H(6)O(2), the asymmetric unit contains a half-molecule of biimidazole and one benzoic acid molecule. The unit cell contains two biimidazole molecules and four benzoic acid molecules, giving the reported 2:1 ratio of benzoic acid to biimidazole. The biimid...
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011557/ https://www.ncbi.nlm.nih.gov/pubmed/21589428 http://dx.doi.org/10.1107/S1600536810045368 |
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author | Gao, Xiaoli Zhu, Miaoli |
author_facet | Gao, Xiaoli Zhu, Miaoli |
author_sort | Gao, Xiaoli |
collection | PubMed |
description | In the title compound, C(6)H(6)N(4)·2C(7)H(6)O(2), the asymmetric unit contains a half-molecule of biimidazole and one benzoic acid molecule. The unit cell contains two biimidazole molecules and four benzoic acid molecules, giving the reported 2:1 ratio of benzoic acid to biimidazole. The biimidazole molecule is located on an inversion center (passing through the central C—C bond). Strong N—H⋯O and O—H⋯N hydrogen bonds link the benzoic acid molecules with the neutral biimidazole molecules, which lie in planar sheets. In the crystal packing, the parallel sheets are related by a twofold rotation axis and an inversion centre, respectively, forming an interwoven three-dimensional network via weak C=O⋯π intermolecular interactions between neighboring molecules. |
format | Text |
id | pubmed-3011557 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30115572010-12-30 Benzoic acid–2,2′-biimidazole (2/1) Gao, Xiaoli Zhu, Miaoli Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(6)H(6)N(4)·2C(7)H(6)O(2), the asymmetric unit contains a half-molecule of biimidazole and one benzoic acid molecule. The unit cell contains two biimidazole molecules and four benzoic acid molecules, giving the reported 2:1 ratio of benzoic acid to biimidazole. The biimidazole molecule is located on an inversion center (passing through the central C—C bond). Strong N—H⋯O and O—H⋯N hydrogen bonds link the benzoic acid molecules with the neutral biimidazole molecules, which lie in planar sheets. In the crystal packing, the parallel sheets are related by a twofold rotation axis and an inversion centre, respectively, forming an interwoven three-dimensional network via weak C=O⋯π intermolecular interactions between neighboring molecules. International Union of Crystallography 2010-11-10 /pmc/articles/PMC3011557/ /pubmed/21589428 http://dx.doi.org/10.1107/S1600536810045368 Text en © Gao and Zhu 2010 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 Gao, Xiaoli Zhu, Miaoli Benzoic acid–2,2′-biimidazole (2/1) |
title | Benzoic acid–2,2′-biimidazole (2/1) |
title_full | Benzoic acid–2,2′-biimidazole (2/1) |
title_fullStr | Benzoic acid–2,2′-biimidazole (2/1) |
title_full_unstemmed | Benzoic acid–2,2′-biimidazole (2/1) |
title_short | Benzoic acid–2,2′-biimidazole (2/1) |
title_sort | benzoic acid–2,2′-biimidazole (2/1) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011557/ https://www.ncbi.nlm.nih.gov/pubmed/21589428 http://dx.doi.org/10.1107/S1600536810045368 |
work_keys_str_mv | AT gaoxiaoli benzoicacid22biimidazole21 AT zhumiaoli benzoicacid22biimidazole21 |