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Gallic acid pyridine monosolvate.

ABSTRACT: IN THE TITLE COMPOUND (SYSTENATIC NAME: 3,4,5-trihy-droxy-benzoic acid pyridine monosolvate), C(5)H(5)N·C(7)H(6)O(5), the gallic acid mol-ecule is essentially planar (r.m.s deviation = 0.0766?Å for non-H atoms) and is linked to the pyridine mol-ecule by an O-H?N hydrogen bond. An intra-molecular O-H?O hydrogen bond occurs in the gallic acid mol-ecule. The gallic acid and pyridine mean planes make a dihedral angle 12.6?(3)°. Inter-molecular O-H?O and O-H?N hydrogen bonding involving the hy-droxy and carboxyl groups and the pyridine mol-ecule, and ?-? inter-actions between inversion-related pyridines [centroid-centroid distance = 3.459?(6)?Å] and between pyridine and benzene rings [centroid-centroid distance = 3.548?(6)?Å], lead to a three-dimensional network in the crystal.

SUBMITTER: Dong FY

PROVIDER: S-EPMC3247482 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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Gallic acid pyridine monosolvate.

Dong Fu-Yue FY Wu Jie J Tian Hai-Yan HY Ye Qing-Mei QM Jiang Ren-Wang RW

Acta crystallographica. Section E, Structure reports online 20111029 Pt 11

IN THE TITLE COMPOUND (SYSTENATIC NAME: 3,4,5-trihy-droxy-benzoic acid pyridine monosolvate), C(5)H(5)N·C(7)H(6)O(5), the gallic acid mol-ecule is essentially planar (r.m.s deviation = 0.0766 Å for non-H atoms) and is linked to the pyridine mol-ecule by an O-H⋯N hydrogen bond. An intra-molecular O-H⋯O hydrogen bond occurs in the gallic acid mol-ecule. The gallic acid and pyridine mean planes make a dihedral angle 12.6 (3)°. Inter-molecular O-H⋯O and O-H⋯N hydrogen bonding involving the hy-droxy ...[more]

PMID: 22220100

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