Synthesis and crystal structure of nitryl compound of formononetin

Aim To synthesize nitryl compound of formononetin and investigate its structure.Methods Formononetin was nitrified,crystals of nitryl compound were obtained by slow evaporation of methanol.Results 3',5',6,8-tetranitryl-4'-methoxy-7-hydroxyisoflavone(1) was synthesized and characterized by IR and 1H NMR.1 crystallizes in monoclinic crystal system,space group P2(1)/c,with a=4.914(1) nm,b=22.333(5) nm,c=16.124(4) nm,α=90°,β=95.576(4),γ=90°,V=1761.0(7) nm3,Z=4,Mr=448.26,Dc=1.691 g/cm3.Conclusion 1 was synthesized by the nitration reaction of formononetin,its structure was indentified on the basis of IR and 'HNMR;the crystal structure of 1 was determined by X-Ray single-Crystal diffraction analysis,the results showed that the isoflavone skeleton of 1 is composed of a benzopyranone moiety and a phenyl ring,hydrogen bonds lead to the formation of a two-dimensional structure.