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Crystal structure of 1H,1′H-[2,2′-biimidazol]-3-ium hydrogen tartrate hemihydrate
In the crystal of the title hydrated salt, C(6)H(7)N(4) (+)·C(4)H(5)O(6) (−)·0.5H(2)O, the biimidazole monocation, 1H,1′H-[2,2′-biimidazol]-3-ium, is hydrogen bonded, via N—H⋯O, O—H⋯O and O—H⋯N hydrogen bonds, to the hydrogen tartrate anion and the water molecule, which is located on a twofold rot...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2014
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257278/ https://www.ncbi.nlm.nih.gov/pubmed/25484840 http://dx.doi.org/10.1107/S160053681402371X |
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author | Gao, Xiao-Li Bian, Li-Fang Guo, Shao-Wei |
author_facet | Gao, Xiao-Li Bian, Li-Fang Guo, Shao-Wei |
author_sort | Gao, Xiao-Li |
collection | PubMed |
description | In the crystal of the title hydrated salt, C(6)H(7)N(4) (+)·C(4)H(5)O(6) (−)·0.5H(2)O, the biimidazole monocation, 1H,1′H-[2,2′-biimidazol]-3-ium, is hydrogen bonded, via N—H⋯O, O—H⋯O and O—H⋯N hydrogen bonds, to the hydrogen tartrate anion and the water molecule, which is located on a twofold rotation axis, forming sheets parallel to (001). The sheets are linked via C—H⋯O hydrogen bonds, forming a three-dimensional structure. There are also C=O⋯π interactions present [O⋯π distances are 3.00 (9) and 3.21 (7) Å], involving the carbonyl O atoms and the imidazolium ring, which may help to consolidate the structure. In the cation, the dihedral angle between the rings is 11.6 (2)°. |
format | Online Article Text |
id | pubmed-4257278 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-42572782014-12-05 Crystal structure of 1H,1′H-[2,2′-biimidazol]-3-ium hydrogen tartrate hemihydrate Gao, Xiao-Li Bian, Li-Fang Guo, Shao-Wei Acta Crystallogr Sect E Struct Rep Online Data Reports In the crystal of the title hydrated salt, C(6)H(7)N(4) (+)·C(4)H(5)O(6) (−)·0.5H(2)O, the biimidazole monocation, 1H,1′H-[2,2′-biimidazol]-3-ium, is hydrogen bonded, via N—H⋯O, O—H⋯O and O—H⋯N hydrogen bonds, to the hydrogen tartrate anion and the water molecule, which is located on a twofold rotation axis, forming sheets parallel to (001). The sheets are linked via C—H⋯O hydrogen bonds, forming a three-dimensional structure. There are also C=O⋯π interactions present [O⋯π distances are 3.00 (9) and 3.21 (7) Å], involving the carbonyl O atoms and the imidazolium ring, which may help to consolidate the structure. In the cation, the dihedral angle between the rings is 11.6 (2)°. International Union of Crystallography 2014-10-31 /pmc/articles/PMC4257278/ /pubmed/25484840 http://dx.doi.org/10.1107/S160053681402371X Text en © Gao et al. 2014 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 Gao, Xiao-Li Bian, Li-Fang Guo, Shao-Wei Crystal structure of 1H,1′H-[2,2′-biimidazol]-3-ium hydrogen tartrate hemihydrate |
title | Crystal structure of 1H,1′H-[2,2′-biimidazol]-3-ium hydrogen tartrate hemihydrate |
title_full | Crystal structure of 1H,1′H-[2,2′-biimidazol]-3-ium hydrogen tartrate hemihydrate |
title_fullStr | Crystal structure of 1H,1′H-[2,2′-biimidazol]-3-ium hydrogen tartrate hemihydrate |
title_full_unstemmed | Crystal structure of 1H,1′H-[2,2′-biimidazol]-3-ium hydrogen tartrate hemihydrate |
title_short | Crystal structure of 1H,1′H-[2,2′-biimidazol]-3-ium hydrogen tartrate hemihydrate |
title_sort | crystal structure of 1h,1′h-[2,2′-biimidazol]-3-ium hydrogen tartrate hemihydrate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257278/ https://www.ncbi.nlm.nih.gov/pubmed/25484840 http://dx.doi.org/10.1107/S160053681402371X |
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