Zhang Zun-Ting, Wang Xiao-Bing, Liu Qian-Guang, Zheng Jian-Bin, Yu Kai-Bai
Organoanalysis Research Laboratory, School of Chemistry and Materials Science, Shaanxi Normal University, Xi'an 710062, People's Republic of China.
Acta Crystallogr C. 2005 Jan;61(Pt 1):o29-31. doi: 10.1107/S0108270104009758. Epub 2004 Dec 11.
The title compound, 5-hydroxy-4',7-dimethoxyisoflavone, C17H14O5, is composed of a benzopyranone moiety, a phenyl moiety and two methoxy groups. The benzopyranone ring is not coplanar with the phenyl ring, the dihedral angle between them being 56.28 (3) degrees. The two methoxy groups are nearly coplanar with their corresponding rings, having C-C-O-C torsion angles of 2.9 (2) and 5.9 (2) degrees . The molecules are linked by C-H...O hydrogen bonds into sheets containing classical centrosymmetric R2(2) (8) rings. The sheets are further linked by aromatic pi-pi stacking interactions and C-H...O hydrogen bonds into a supramolecular structure.
标题化合物5-羟基-4',7-二甲氧基异黄酮（C17H14O5）由一个苯并吡喃酮部分、一个苯基部分和两个甲氧基组成。苯并吡喃酮环与苯环不共面，它们之间的二面角为56.28（3）度。两个甲氧基与其相应的环近乎共面，C-C-O-C扭转角分别为2.9（2）度和5.9（2）度。分子通过C-H...O氢键连接成含有经典中心对称R2(2)（8）环的片层。这些片层通过芳香π-π堆积相互作用和C-H...O氢键进一步连接成超分子结构。
