L. Wen, Mei Zhu, Ming Li
Jan 12, 2006
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Journal
Journal of Chemical Crystallography
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, Dc = 1.298, Mr = 318.40, μ = 0.210 mm−1, F(000) = 672, R1 = 0.0488 and wR2 = 0.1250.