Synthesis, Crystal Structure and Biological Activity of 4-Amino-2,4-dihydro-5-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-3H-1,2,4-triazole-3-thione Schiff Base

摘要

The target compound 1,2,4-triazole Schiff base containing pyrazole ring was synthesized by 4-amino-2,4-dihydro-5-((3,5-dimethyl- lH-pyrazol-1-yl)methyl)-3H-1,2,4-triazole-3-thione and 3,4,5-trimethoxy benzaldehyde.The structure was confirmed by IR,~1H NMR,H RMS,elemental analysis and single-crystal X-ray diffraction.The crystal belongs to the triclinic system,space group P1 with a = 7.8772(17),b = 8.2986(18),c = 15.392(3) A,α= 93.360(4),β= 94.609(4),γ= 93.584(4)°,C_(18)H_(22)N_6O_3S,M_r= 402.47,V= 998.9(4) A^3,Z= 2,F(000) = 422,D_c =1.335 g/cm^3,μ= 0.194 mm^(-1),the final R = 0.0533 and wR = 0.1329 for 3517 observed reflections with I> 2σ(I).The preliminary bioassay results indicate that the target compound has good fungicidal activity against Gibberlla nicotiancola in EC50 value and F.O.f.sp.niveum in EC_(95) value.