Synthesis and Crystal Structure of 2[1-(1,1-Dimethylethyl)-5-methyl-1-H-pyrazol- 4-ylcarbonyl]-N-phenyldrazinecarbothioamide

【Abstract】 The crystal structure of 2[1-(1,1-dimethylethyl)-5-methyl-1-H-pyrazol-4-ylcar- bonyl]-N-phenyldrazinecarbothioamide ([C16H21N5OS]CH3COCH3, C19H27N5O2S, Mr = 389.52) has been determined by single-crystal X-ray diffraction. The crystal belongs to tetragonal, space group I41/a with a = 23.960(4), b = 23.960(4), c = 16.120(5) , V = 9254(4) 3, Z = 16, Dc = 1.118 g/cm3, m = 0.161 mm-1, F(000) = 3328, R = 0.0660 and wR = 0.1305 for 3878 unique reflections with 1653 observed ones (I > 2(I)). The intermolecular hydrogen bond between N(3)H(3B)…O(1), N(5) H(5A)…S(1) and N(4)H(4D)…O(2) has been observed.更多还原