Ontology highlight
ABSTRACT:
SUBMITTER: Zhao J
PROVIDER: S-EPMC3051435 | biostudies-literature | 2011 Jan
REPOSITORIES: biostudies-literature
Zhao Jianping J Khan Ikhlas A IA Fronczek Frank R FR
Acta crystallographica. Section E, Structure reports online 20110112 Pt 2
Anhydrous 3,4,5-trihy-droxy-benzoic acid, C(7)H(6)O(5), is essentially planar, with its non-H atoms exhibiting mean and maximum deviations from coplanarity of 0.014 and 0.0377 (5) Å, respectively. The C-C-C-OH torsion angle about the bond linking the carboxyl group to the benzene ring is -0.33 (10)°. In the crystal, the -COOH groups form centrosymmetric hydrogen-bonded cyclic dimers [graph set R(2) (2)(8)] and the phenolic -OH groups participate in both intra- and inter-molecular hydrogen bonds, ...[more]