2,3,4-Trihy-droxy-benzoic acid 0.25-hydrate.
Acta Crystallogr Sect E Struct Rep Online
; 68(Pt 3): o825-6, 2012 Mar 01.
Article
em En
| MEDLINE
| ID: mdl-22412689
ABSTRACT
The asymmetric unit of the title compound, C(7)H(6)O(5)·0.25H(2)O, contains two mol-ecules of 2,3,4-trihy-droxy-benzoic acid, with similar conformations, and one water mol-ecule which lies on a twofold rotation axis. Both acid mol-ecules are essentially planar [maximum r.m.s deviations = 0.0324â
(2) and 0.0542â
(3)â
Å for the two acid molecules]. The mol-ecular conformations are stabilized by intra-molecular O(phenol)-Hâ¯O(carbox-yl/phenol) inter-actions. A cyclic inter-molecular association is formed between the two acid and one water mol-ecule [graph set R(3) (3)(12)] involving O-Hâ¯O hydrogen bonds. The two acid mol-ecules are further linked through a cyclic R(2) (2)(8) carb-oxy-lic acid hydrogen-bonding association, which together with inter-molecular O-Hâ¯O hydrogen-bonding inter-actions involving the phenol groups and the water mol-ecule, and weak π-π inter-actions [minimum ring centroid separation = 3.731â
(3)â
Å], give a three-dimensional network.
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En
Ano de publicação:
2012
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Article