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)N6O3S,Mr= 402.47,V= 998.9(4) A^3,Z= 2,F(000) = 422,Dc =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.
WANG Zi-JianSUN Xiao-HongLIU Yuan-FaCHEN BangJIN Ru-YiSHEN Sheng-QiangMA Hai-Xia
A new Zn(II) complex, [ZnL2Br2] (L = triadimenol) was synthesized by the reaction of ZnBr2 with the commercial fungicide of triadimenol, then characterized by elemental analysis, IR spectroscopy and single-crystal X-ray diffraction. The crystal structure shows that the complex [ZnL2Br2] crystallizes in orthorhombic, Pnam space group with a = 11.263(2), b = 8.4478(15), c = 36.125 (7) A, V = 3437.2 (11 ) ,A Z = 4, C28H36Br2C12N604Zn, Mr = 816.72, Dc = 1.578 g/cm3, F(000) = 1648,μ = 3.236 mm-1, the final R = 0.0388 and wR = 0.0879 for 2399 observed reflections with I 〉 2σ(/). The central metals adopt square plane coordination geometry. And intermolecular hydrogen bonds connect Zn(Ⅱ) into a one-dimensional chain. In addition, the title complex and triadimenol were screened for antifungal activities against four selected fungi using the mycelial growth rate method. The results indicate that the complex synthesized shows better antifungal activities than the ligand triadimenol.