Citation: WANG Zi-Jian, SUN Xiao-Hong, LIU Yuan-Fa, CHEN Bang, JIN Ru-Yi, SHEN Sheng-Qiang, MA Hai-Xia. 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[J]. Chinese Journal of Structural Chemistry, ;2016, 35(2): 212-218. doi: 10.14102/j.cnki.0254-5861.2011-0892 shu

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

1.
a Chemical Research Institute, Northwest University, Xi'an 710069, China;
2.
b School of Chemical Engineering, Northwest University, Xi'an 710069, China;
3.
c College of Chemistry & Materials Science, Northwest University, Xi'an 710069, China

Received Date: 11 July 2015
Available Online: 16 December 2015
Fund Project: This project was supported by the National Natural Science Foundation of China (No. 21373161) (No. 21373161)

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, 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) Å, α = 93.360(4), β = 94.609(4), γ = 93.584(4)°, C₁₈H₂₂N₆O₃S, M_r = 402.47, V = 998.9(4) Å³, Z = 2, F(000) = 422, D_c = 1.335 g/cm³, 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 EC₉₅ value.
- Schiff base,
- 1,2,4-triazole,
- pyrazole,
- synthesis,
- structure,
- biological activity
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沈阳化工大学材料科学与工程学院沈阳 110142