Synthesis and crystal structure of a novel supramolecular compound [Mg(H2O)6](C16H11O4SO3)2•10H2O

A hydrolyte of magnesium 7-methoxyl-4'-hydroxylisoflavone-3'-sulfonate ([Mg(H2O)(6)](C16H11O4SO3)(2).10H(2)O) was synthesized and its crystal structure was determined by X-ray diffraction analyses. The crystal belongs to triclinic crystal system, space group P-1 with cell constants a = 0.7359 (1) nm, b = 0.9935 (1) nm, c = 1.6335(2) nm, alpha = 91.16(1)degrees, beta = 92.07(1)degrees, gamma = 106.53(1)degrees, V = 1436(2) nm(3) and Z = 1. The results show that the title compound consists of [Mg(H2O)(6)](2+), C16H11O4SO3- and H2O. Mg(II) is located at the symmetry center of the title compound. [Mg(H2O)(6)](2+), C16H11O4SO3- and H2O form fourteen kinds of hydrogen bonds. The distance of 0.351 nm between parallel isoflavone rings shows a pi-pi stacking interaction. The hydrogen bonds and pi-pi stacking interaction lead to supramolecular formation with three-dimensional network structure. The title compound was also characterized by IR and H-1 NMR spectra.