Wang Li, Meng Fa-Yan, Lin Cui-Wu, Chen Hai-Yan, Luo Xuan
College of Chemistry and Chemical Engineering, Guangxi University, Guangxi 530004, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2011 Jan 12;67(Pt 2):o354. doi: 10.1107/S1600536810054504.
The benzene ring in the title compound, C(10)H(10)O(4), makes an angle of 4.4 (1)° with the C-C-C-O linker. The hy-droxy groups are involved in both intra- and inter-molecular O-H⋯O hydrogen bonds. The crystal packing is stabilized by O-H⋯O hydrogen-bonding inter-actions. The mol-ecules of the caffeic acid ester form a dimeric structure in a head-to-head manner along the a axis through O-H⋯O hydrogen bonds. The dimers inter-act with one another through O-H⋯O hydrogen bonds, forming supermolecular chains. These chains are further extended through C-H⋯O hydrogen bonds as well as van der Waals inter-actions into the final three-dimensional architecture.
标题化合物C(10)H(10)O(4)中的苯环与C-C-C-O连接基形成4.4 (1)°的夹角。羟基参与了分子内和分子间的O-H⋯O氢键作用。晶体堆积通过O-H⋯O氢键相互作用得以稳定。咖啡酸酯分子沿a轴通过O-H⋯O氢键以头对头的方式形成二聚体结构。二聚体通过O-H⋯O氢键相互作用，形成超分子链。这些链通过C-H⋯O氢键以及范德华相互作用进一步延伸，形成最终的三维结构。
