Hydrogen bonding and aromatic pi-pi stacking in the crystal structures of water-soluble daidzein derivatives

摘要

Water-soluble daidzein derivatives, [Ni(H2O)(6)](C16H11O4SO3)(2)center dot 10H(2)O and [Zn(H2O)(6)] (C16H11O4SO3)(2)center dot 10H(2)O (C16H11O4SO3, 7-methoxy-4-hydroxylisoflavone- 3'-sulfonate) were synthesized and their crystal structures were determined by X-ray diffraction analysis. The crystals of them all belong to triclinic crystal system, space group PO . The results show that the two derivatives consist of metal cation [Ni(H2O)(6)](2+) and [Zn(H2O)(6)](2+), anion C16H11O4SO3- and H2O. Ni2+ and Zn2+ are the centers of the two compounds, respectively. A hydrophilic region is built by a variety of hydrogen bonds among [Ni(H2O)(6)](2+) or [Zn(H2O)(6)](2+), C16H11O4SO3- and the lattice water molecules. Aromatic pi-pi stacking interactions assemble the isoflavone skeletons into a column and the columns form a hydrophobic region of daidzein derivatives. The sulfo-groups bridge the hydrophilic and hydrophobic region as well as the inorganic and organic components.