| Synthesis and Crystal Structure of 4-Phenyl-5-(1't-butyl-5'-methyl-4'-pyrazolyl)-1,2,4-triazol-3-thione |
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| 作者姓名： | LI Minga b c WEN Li-Rongb FU Wei-Junb WANG Shu-Wenb YANG Hua-Zhenga② a |
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| 作者单位： | LI Minga，b，c WEN Li-Rongb FU Wei-Junb WANG Shu-Wenb 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： | The project was supported by the Natural Science Foundation of Shandong Province (No. Y2003B01) and NNSFC (No. 20172031) |
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| 摘 要： | COOEtCOCH3(CH3)2NNHNH2NNCH3OOEtNH2NH2NNCH3ONHNH2PhNCSNNCH3ONHNHCNHSOH-NNCH3NNHNPhS12345 1 INTRODUCTION A large number of 1,2,4-triazole derivatives have been synthesized in recent years1～4]. Many of them are reported to exhibit broad spectrum biologi-…
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Synthesis and Crystal Structure of 4-Phenyl-5-(1't-butyl-5'-methyl-4'-pyrazolyl)-1,2,4-triazol-3-thione |
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| Abstract: | The crystal structure of 4-phenyl-5-(1-t-butyl-5-methyl-4-pyrazolyl)-1,2,4-triazol- 3-thione 5 (C16H19N5S, Mr = 313.42) has been determined by single-crystal X-ray diffraction analysis. The crystal belongs to monoclinic, space group P21/c with a = 6.680(2), b = 27.44(1), c = 9.388(4) ? b = 106.738(6), V = 1648(1) 3, Z = 4, Dc = 1.263 g/cm3, m = 0.200 mm-1, F(000) = 664, R = 0.0608 and wR = 0.1176. The results confirmed that 5 can be assigned to the thione tautomeric form. |
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| Keywords: | pyrazole 1 2 4-triazol-3-thione crystal structure synthesis |
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