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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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Detalles Bibliográficos
Autores principales: Gao, Xiao-Li, Bian, Li-Fang, Guo, Shao-Wei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
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)°.
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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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