N. Okabe, Hasuyo Kyoyama
Apr 1, 2002
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Journal
Acta Crystallographica Section E: Crystallographic Communications
Abstract
In the crystal structure of the title compound, 3,4,5-trihydroxybenzoic acid n-butyl ester dihydrate, C11H14O5·2H2O, the molecule is essentially in a planar conformation with a fully extended trans zigzag butyl ester group. There are two intramolecular hydrogen bonds between hydroxyl groups. The crystal structure is stabilized by the stacking interactions between gallate head groups, i.e. the 3,4,5-trihydroxybenzene part of butyl gallate, the hydrophobic interactions between alkyl groups, and all available intermolecular hydrogen bonds.