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Gallic Acid.


ABSTRACT: 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, forming a three-dimensional network structure.

SUBMITTER: Zhao J 

PROVIDER: S-EPMC3051435 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

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Gallic Acid.

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]

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