| Synthesis and Crystal Structure of 2[1-（1,1-Dimethylethyl）-5-methyl-1-H-pyrazol-4-ylcarbonyl]-N-phenyldrazinecarbothioamide |
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| 引用本文： | 李明,文丽荣,付维军,赵桂龙,杨华铮.Synthesis and Crystal Structure of 2[1-（1,1-Dimethylethyl）-5-methyl-1-H-pyrazol-4-ylcarbonyl]-N-phenyldrazinecarbothioamide[J].结构化学,2004,23(4):371-375. |
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| 作者姓名： | 李明 文丽荣 付维军 赵桂龙 杨华铮 |
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| 作者单位： | LI Minga，b，c WEN Li-Rongb FU Wei-Junb ZHAO Gui-Longb YANG Hua-Zhenga② a (Institute of Elemento-organic Chemistry，Nankai University，Tianjin 300071，China) b (College of Chemistry and Molecular Engineering，Qingdao University of Science and Technology，Qingdao 266042，China) c (State Key Laboratory of Applied Organic Chemistry，Lanzhou University，Lanzhou 730000，China) |
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| 基金项目： | theNSFofShandongProvince(Y2003B01),NNSFC(20172031)，theFundfortheDoctoralProgramofHigherEducation |
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| 摘 要： | 1INTRODUCTIONThiosemicarbazidespossessingNC=Sgroupareanessentialstructurefeatureresponsibleforvariousbiocidalproperties1～7].Moreover,theyaretheconvenientandkeyintermediatesforthesyn-thesisofheterocycliccompoundssuchas1,3,4-thiadiazoles,1,2,4-triazoleand…
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| 关 键 词： | 合成 晶体结构 2[1-（1 1-二甲基乙基）-5-甲基-1-H-吡唑-4-羰基]-N-苯基苯氧异丙肼羰基硫代酰胺 C19H27N5O2S |
Synthesis and crystal Structure of 2[1-(1,1-dimethylethyl)-5-methyl-1-H-pyrazol-4-ylcarbonyl]-N-Phenyldrazinecarbothioamide |
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| Institution: | Institute of Elemento-organic Chemistry,Nankai University,Tianjin 300071,China;College of Chemistry and Molecular Engineering,Qingdao University of Science and Technology,Qingdao 266042,China;State Key Laboratory of Applied Organic Chemistry,Lanzhou |
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| Abstract: | The crystal structure of 21-(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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| Keywords: | hydrazinecarbothioamide pyrazole crystal structure synthesis |
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