Hydrogen bonding and pi-pi stacking in dimethylgenistein.
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.
Zhang
Zun-Ting
ZT
Organoanalysis Research Laboratory, School of Chemistry and Materials Science, Shaanxi Normal University, Xi'an 710062, People's Republic of China. zhangzunting@sina.com
Wang
Xiao-Bing
XB
Liu
Qian-Guang
QG
Zheng
Jian-Bin
JB
Yu
Kai-Bai
KB