SynthesesandCrystalStructuresof[Na（H2O）1/2]XandNH2（CH2CH3）2XandAntioxidantActivityoftheFormer

In order to enhance the water-solubility and biological utilization rate of chrysin,sodium 5,7-dihydroxylflavone-8-sulfonate(1,[Na(H2O)1/2]X,X=C15H9O4SO3,5,7-dihydroxylfla-vone-8-sulfonate) was synthesized and its structure was identified on the basis of NMR,FT-IR and elemental analysis.The assembly of 5,7-dihydroxylflavone-8-sulfonate with diethylamide cation afforded diethylamide 5,7-dihydroxylflavone-8-sulfonate(2,NH2(CH2CH3)2X) which was characterized by FT-IR and elemental analysis.The crystal structures of 1 and 2 were determined by X-ray single-crystal diffraction analysis.The crystal of 1 is of triclinic system,space group P1,with a=8.5628(13),b=12.8916(19),c=13.562(2) ,α=82.494(1),β=78.601(2),γ=84.033(2)°,C30H20Na2O15S2,Z=2,Mr=730.59,V=1450.3(4) 3,Dc=1.673 g/cm3,F(000)=748,μ=0.295 mm-1,the final R=0.0641 and wR=0.1458.The crystal of 2 crystallizes in the triclinic system,space group P1,with a=7.689(2),b=11.184(3),c=11.734(3) ,α=74.268(3),β=81.751(4),γ= 87.991(3)°,C19H21NO7S,Z=2,Mr=407.43,V=961.2(4) 3,Dc=1.408 g/cm3,F(000)=428,μ= 0.210 mm-1,the final R=0.0484 and wR=0.1195.In 1,the three-dimensional structure is organized into organic and inorganic regions;the flavone skeletons are stacked into organic regions by π…π stacking interactions;inorganic regions are generated by Na-O coordination bonds among sulfonate groups,coordinated water molecules and NaI.The sulfonate groups play an important role as a bridge of inorganic and organic regions.One-dimensional chain structure of 2 is extended by N-H…O hydrogen bonds and π…π stacking interactions.Furthermore,the antioxidant activity of 1 was evaluated.The scavenging activity of 1 to DPPH free radical is better than that of the parent compound chrysin.