The crystal structure of the title compound（E）-N-（4-fluorobenzylidene）-3-（methylthio）-5-（3,4,5-trimethoxyphenyl）-4 H-1,2,4-triazol-4-amine（C_（19）H_（19）FN_4O_3S,Mr = 402.44） was synthesized,and its struct...The crystal structure of the title compound（E）-N-（4-fluorobenzylidene）-3-（methylthio）-5-（3,4,5-trimethoxyphenyl）-4 H-1,2,4-triazol-4-amine（C_（19）H_（19）FN_4O_3S,Mr = 402.44） was synthesized,and its structure was characterized by 1 H-NMR,13 C-NMR,ESI-MS and single-crystal X-ray diffraction.The crystal belongs to the triclinic system,space group P1 with a = 9.228（13）,b = 10.364（14）,c = 10.641（14） ？,α = 85.323（3）,β = 75.172（2）,γ = 80.903（3）°,μ = 0.20 mm^（-1）,M_r = 402.44,V = 970.64（10） ？~3,Z = 2,D_c = 1.377 g/cm^3,F（000） = 420,R = 0.0484 and wR = 0.1474 for 3181 observed reflections with I 〉 2σ（I）.In addition,the preliminary bioassay indicated that the title compound 5 exhibits better inhibitory activity against Hela than 5-fluorouracil.展开更多
基金supported by the National Natural Science Foundation of China(N0.21372113)the Guangzhou Science and Technology Project(No.201707010198)
文摘The crystal structure of the title compound（E）-N-（4-fluorobenzylidene）-3-（methylthio）-5-（3,4,5-trimethoxyphenyl）-4 H-1,2,4-triazol-4-amine（C_（19）H_（19）FN_4O_3S,Mr = 402.44） was synthesized,and its structure was characterized by 1 H-NMR,13 C-NMR,ESI-MS and single-crystal X-ray diffraction.The crystal belongs to the triclinic system,space group P1 with a = 9.228（13）,b = 10.364（14）,c = 10.641（14） ？,α = 85.323（3）,β = 75.172（2）,γ = 80.903（3）°,μ = 0.20 mm^（-1）,M_r = 402.44,V = 970.64（10） ？~3,Z = 2,D_c = 1.377 g/cm^3,F（000） = 420,R = 0.0484 and wR = 0.1474 for 3181 observed reflections with I 〉 2σ（I）.In addition,the preliminary bioassay indicated that the title compound 5 exhibits better inhibitory activity against Hela than 5-fluorouracil.
