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1-Carb-oxy-naphthalen-2-yl acetate monohydrate.

ABSTRACT: In the title compound, C13H10O4·H2O, both the carboxylic acid [Car-Car-C-O = -121.1?(2)°, where ar = aromatic] and the ester [Car-Car-O-C = -104.4?(3)°] groups lie out of the mean plane of the conjugated aromatic system. In the crystal, the organic mol-ecule is hydrogen bonded to water mol-ecules through the ester and carb-oxy moieties, forming chains along the a-axis direction. The methyl H atoms of the acet-oxy group are disordered over two equally occupied sites.

SUBMITTER: Souza BS

PROVIDER: S-EPMC3998276 | biostudies-literature | 2014 Feb

REPOSITORIES: biostudies-literature

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1-Carb-oxy-naphthalen-2-yl acetate monohydrate.

Souza Bruno S BS Bortoluzzi Adailton J AJ Nome Faruk F

Acta crystallographica. Section E, Structure reports online 20140104 Pt 2

In the title compound, C13H10O4·H2O, both the carboxylic acid [Car-Car-C-O = -121.1 (2)°, where ar = aromatic] and the ester [Car-Car-O-C = -104.4 (3)°] groups lie out of the mean plane of the conjugated aromatic system. In the crystal, the organic mol-ecule is hydrogen bonded to water mol-ecules through the ester and carb-oxy moieties, forming chains along the a-axis direction. The methyl H atoms of the acet-oxy group are disordered over two equally occupied sites. ...[more]

PMID: 24764837

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