2,3,4-Trihydroxybenzoic acid 0.25-hydrate
| Autor: | Xiao-Feng Yuan, Ren-Wang Jiang, Fang Cai, Fu-Yue Dong, Jin-Hang Li |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2012 |
| Předmět: | |
| Zdroj: | Acta Crystallographica Section E, Vol 68, Iss 3, Pp o825-o826 (2012) |
| Druh dokumentu: | article |
| ISSN: | 16005368 1600-5368 |
| DOI: | 10.1107/S160053681200709X |
| Popis: | The asymmetric unit of the title compound, C7H6O5·0.25H2O, contains two molecules of 2,3,4-trihydroxybenzoic acid, with similar conformations, and one water molecule which lies on a twofold rotation axis. Both acid molecules are essentially planar [maximum r.m.s deviations = 0.0324 (2) and 0.0542 (3) Å for the two acid molecules]. The molecular conformations are stabilized by intramolecular O(phenol)—H...O(carboxyl/phenol) interactions. A cyclic intermolecular association is formed between the two acid and one water molecule [graph set R33(12)] involving O—H...O hydrogen bonds. The two acid molecules are further linked through a cyclic R22(8) carboxylic acid hydrogen-bonding association, which together with intermolecular O—H...O hydrogen-bonding interactions involving the phenol groups and the water molecule, and weak π–π interactions [minimum ring centroid separation = 3.731 (3) Å], give a three-dimensional network. |
| Databáze: | Directory of Open Access Journals |
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