Synthesis and Crystal Structure of 4-Salicyli- deneamino-3-methyl-1,2,4-triazol-5-thione

The crystal structure of 4-salicylideneamino-3-methyl-1,2,4-triazol-5-thione 1 (C10H10N4OS, Mr = 234.28) has been determined by single-crystal X-ray diffraction method. The crystal belongs to monoclinic, space group P21/n with a = 12.697(3), b = 7.4072(15), c = 12.750(3) A, β = 117.68(3)°, V = 1061.85(4) A3, Z = 4, Dc = 1.465 g/cm3, μ = 0.288 mm-1 and F(000) = 488. R = 0.0584 and wR = 0.1642 for 2660 unique reflections with 2130 observed ones (I > 2σ(I)). The results confirmed that the configuration of the title compound at the azomethine C=N bond is E and 1 can be assigned as the thione tautomeric form. All atoms of the title compound are essentially coplanar.

作 者： WEN Li-Rong LI Guo-Qiang LI Ming JING Shu-xia ZHANG Shu-Sheng   作者單位： WEN Li-Rong(College of Life Science and Pharmacentical Engineering, Nanjing University of Technology, Nanjing 210009, China;College of Chemistry and Molecule Engineering, Qingdao University of Science and Technology, Qingdao 266042, China)

LI Guo-Qiang,JING Shu-xia,ZHANG Shu-Sheng(College of Chemistry and Molecule Engineering, Qingdao University of Science and Technology, Qingdao 266042, China)

LI Ming(College of Chemistry and Molecule Engineering, Qingdao University of Science and Technology, Qingdao 266042, China;National Laboratory of Applied Organic Chemistry, Lanzhou University, Lanzhou 730000, China) 

刊 名： 結(jié)構(gòu)化學(xué)  ISTIC SCI PKU 英文刊名： CHINESE JOURNAL OF STRUCTURAL CHEMISTRY  年，卷(期)： 2003 22(5)  分類號： O641  關(guān)鍵詞： 4-salicylideneamino-3-methyl-1,2,4-triazol-5-thione,crystal structure,synthesis  

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