【摘 要】
：
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
【机 构】
：
Institute of Elemento-organic Chemistry,College of Chemistry and Molecular Engineering,State Key Lab
论文部分内容阅读
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)A,V=9254(4)A3,Z=16,Dc=1.118 g/cm3,μ=0.161 mm-1,F(000)=3328,R=0.0660 and wR=0.1305 for 3878 unique reflections with 1653 observed ones (I > 2σ(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.
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