title: Hydrogen bonding and pi-pi stacking in 6-hydroxybiochanin A monohydrate.
abstract: In the lattice of the title compound (systematic name: 5,6,7-trihydroxy-4'-methoxyisoflavone monohydrate), C16H12O6.H2O, the isoflavone molecules are linked into chains through R(4)3(17) motifs composed via O-H...O and C-H...O hydrogen bonds. Centrosymmetric R(4)2(14) motifs assemble the chains into sheets. Hydrogen-bonding and aromatic pi-pi stacking interactions lead to the formation of a three-dimensional network structure.
authors.affiliation: School of Chemistry and Materials Science, Shaanxi Normal University, Xi'an 710062, People's Republic of China. zhangzt@snnu.edu.cn
authors.forename: Zun Ting
authors.initials: ZT
authors.lastname: Zhang
authors.forename: Yan Chang
authors.initials: YC
authors.lastname: Wang
mesh_terms: D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D007529:Isoflavones / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D011336:Probability; D014867:Water / Q000737:chemistry*
chemical_list: C518428:6-hydroxybiochanin A; D007529:Isoflavones; D014867:Water