Synthesis, Characterization, Crystal and Molecular Structure Analysis of 1-(2-Chlorophenyl)-3-methyl-4-(p-tolylthio)-1H-pyrazol-5-ol

R. Kamani, Rahul P. Thummar, Nirav H. Sapariya, Beena K. Vaghasiya, Jemin R. Avalani, Vishal B. Purohit, K. Patel, Dipak K. Raval
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Abstract

The synthesis of a novel tolylthiopyrazol bearing methyl group has been achieved by transition metal free N-chlorosuccinimide mediated direct sulfenylation of 1-aryl pyrazolones at room temperature. The product obtained was characterized by spectroscopic techniques and finally confirmed by X-ray diffraction studies. The compound 1-(2-chlorophenyl)-3-methyl-4-(p-tolylthio)-1H-pyrazol-5-ol (m.f. C17H15N2OSCl) crystallizes in monoclinic crystal class in space group P21/c with cell parameters a = 9.6479(5) Å, b = 15.1233(8) Å, c = 11.4852(6) Å, β = 108.374(2)°, V=1590.4(2) Å3 and Z = 4. The final residual factor R1 = 0.0499.
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1-(2-氯苯基)-3-甲基-4-(对甲基硫)- 1h -吡唑-5-醇的合成、表征、晶体及分子结构分析
采用无过渡金属的n -氯丁二酰亚胺介导1-芳基吡唑酮在室温下直接磺化,合成了一种含甲基的新型甲基硫代吡唑。所得产物经光谱技术表征,最后经x射线衍射研究证实。化合物1-(2-氯苯基)-3-甲基-4-(p-甲基硫)- 1h -吡唑-5-醇(m.f. C17H15N2OSCl)在P21/c空间群中以单斜晶类结晶,晶型参数a =9.6479(5) Å, b = 15.1233(8) Å, c = 11.4852(6) Å, β = 108.374(2)°,V=1590.4(2) Å3, Z = 4。最终剩余因子R1 = 0.0499。
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