Synthesis and crystal structure of 5-amino-4-cyano-1-[(5-methyl-1-t-butyl-4-pyrazolyl)carbonyl]-3-methylthio-1H-pyrazole |
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Authors: | Lirong Wen Mei Zhu Ming Li Shusheng Zhang |
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Institution: | (1) College of Chemistry and Molecular Engineering, Qingdao University of Science and Technology, Qingdao, 266042, P. R. China |
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Abstract: | The title compound, 5-amino-4-cyano-1-(5-methyl-1-t-butyl-4-pyrazolyl)carbonyl]-3-methylthio-1H-pyrazole 5, was synthesized by the treatment of 4 (5-methyl-1-t-butylpyrazole-4-carbohydrazide) with 2-cyano-3, 3-dimethylthio-acrylonitrile, and its crystal structure was determined by X-ray diffraction method. The crystal belongs to monoclinic, space group P21/c with unit cell parameters a = 13.566(4) Å, b = 10.833(3) Å, c = 11.202(3) Å, α = 90°, β = 98.073(5)°, γ = 90°, V = 1629.9(8) Å3, Z = 4, D
c = 1.298, M
r = 318.40, μ = 0.210 mm−1, F(000) = 672, R
1 = 0.0488 and wR
2 = 0.1250. |
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Keywords: | Pyrazole 2-cyano-3 3-dimethylthioacrnitrile crystal structure mechanism |
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