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A third monoclinic polymorph of 3,4,5-trihy-droxy-benzoic acid monohydrate.

ABSTRACT: The title compound, C(7)H(6)O(5)·H(2)O, is a new polymorph of the structures reported by Jiang et al. (2000 ?) [Acta Cryst. C56, 594-595] and Okabe et al. (2001 ?) [Acta Cryst. E57, o764-o766]. The gallic acid mol-ecule is essentially planar (r.m.s. deviation = 0.550?Å). An intra-molecular O-H?O hydrogen bond occurs in the gallic acid mol-ecule, which is linked to the water mol-ecule by a further O-H?O hydrogen bond. In the crystal, the components are linked by O-H?O hydrogen bonds. The hydrogen-bonding pattern differs from those reported for the previous polymorphs.

SUBMITTER: Demirtas G

PROVIDER: S-EPMC3120380 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

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A third monoclinic polymorph of 3,4,5-trihy-droxy-benzoic acid monohydrate.

Demirtaş Güneş G Dege Necmi N Büyükgüngör Orhan O

Acta crystallographica. Section E, Structure reports online 20110525 Pt 6

The title compound, C(7)H(6)O(5)·H(2)O, is a new polymorph of the structures reported by Jiang et al. (2000 ▶) [Acta Cryst. C56, 594-595] and Okabe et al. (2001 ▶) [Acta Cryst. E57, o764-o766]. The gallic acid mol-ecule is essentially planar (r.m.s. deviation = 0.550 Å). An intra-molecular O-H⋯O hydrogen bond occurs in the gallic acid mol-ecule, which is linked to the water mol-ecule by a further O-H⋯O hydrogen bond. In the crystal, the components are linked by O-H⋯O hydrogen bonds. The hydrogen ...[more]

PMID: 21754875

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