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

The target compound 1,2,4-triazole Schiff base containing pyrazole ring was synthesized by 4-amino-2,4-dihydro-5-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-3H-1,2,4-triazole-3-thione and 3,4,5-trimethoxy benzaldehyde. The structure was confirmed by IR, H-1 NMR, H RMS, elemental analysis and single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group P (1) over bar with a = 7.8772(17), b = 8.2986(18), c = 15.392(3) angstrom, alpha = 93.360(4), beta = 94.609(4), gamma = 93.584(4)degrees, C18H22N6O3S, M-r = 402.47, V = 998.9(4) angstrom(3), Z = 2, F(000) = 422, D-c = 1.335 g/cm(3), mu = 0.194 mm(-1), the final R = 0.0533 and wR = 0.1329 for 3517 observed reflections with I > 2 sigma(1). 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 EC95 value.