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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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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 |
Sumario: | 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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