Souza Bruno S, Bortoluzzi Adailton J, Nome Faruk
Depto. de Química - Universidade Federal de Santa Catarina, 88040-900 Florianópolis, Santa Catarina, Brazil.
Acta Crystallogr Sect E Struct Rep Online. 2014 Jan 4;70(Pt 2):o105. doi: 10.1107/S1600536813034338. eCollection 2014 Feb 1.
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.
在标题化合物C₁₃H₁₀O₄·H₂O中,羧酸基团[Car-Car-C-O = -121.1 (2)°,其中ar = 芳环]和酯基[Car-Car-O-C = -104.4 (3)°]均偏离共轭芳环体系的平均平面。在晶体中,有机分子通过酯基和羧基部分与水分子形成氢键,沿a轴方向形成链状结构。乙酰氧基的甲基H原子在两个等占据位点上无序分布。