SynthesisandCrystalStructureofaNovelSupramolecularCompound[Mg（H2O）6](C16H11O4SO3)2·10H2O

A hydrolyte of magnesium 7 methoxyl 4′ hydroxylisoflavone 3′ sulfonate ([Mg(H 2O) 6](C 16 H 11 O 4SO 3) 2·10H 2O) was synthesized and its crystal structure was determined by X ray diffraction analyses. The crystal belongs to triclinic crystal system, space group P ī with cell constants a =0 7359(1) nm, b =0 9935(1) nm, c = 1 6335(2) nm, α =91 16(1)°, β =92 07(1)°, γ =106 53(1)°, V =1 1436(2) nm 3 and Z =1. The results show that the title compound consists of [Mg(H 2O) 6] 2+ , C 16 H 11 O 4SO - 3 and H 2O. Mg(II) is located at the symmetry center of the title compound. [Mg(H 2O) 6] 2+ , C 16 H 11 O 4SO - 3 and H 2O form fourteen kinds of hydrogen bonds. The distance of 0 351 nm between parallel isoflavone rings shows a π π stacking interaction. The hydrogen bonds and π π stacking interaction lead to supramolecular formation with three dimensional network structure. The title compound was also characterized by IR and 1H NMR spectra.