Synthesis and Crystal Structure of 3,6-Bis(4-methyl-1,2,3-thiadiazol-5-yl)-1,2,4-triazolo[3,4-b][1,3

• 作 者: YANG Zhi-Kun FAN Zhi-Jin ZUO X
• 机 构: State Key Laboratory of Elemento Organic Chemistry,Department of Chemistry,TOSLab
• 出 处: 结构化学
• 发表日期: 2004年期
• 关键词: X-ray diffraction crystal structure synthesis 1 2 3-thiadiazole

The compound 3,6-bis(4-methyl-1,2,3-thiadiazol-5-yl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole(C_9H_6N_8S_3,M_r=322.40)has been synthesized by the reaction of 4-amino-3-(4-methyl-1,2,3-thiadiazolyl)-5-mercapto-1,2,4-triazole with 4-methyl-1,2,3-thiadiazol-5-carboxylic acid and phosphorus oxychloride,and its structure was characterized by IR,~1H NMR,EI-MS,elemental analysis and single-crystal X-ray diffraction.The crysml of the title compound belongs to monoclinic,space group C2/c with a=2.0053(4),b=1.308 1(3),c=1.0556(2)nm,β=112.69(3)°,Z=4,V=2.5548(9)nm~3,D_c=1.676g/cm~3,μ=0.582 mm~(-1),F(000)=1312,R=0.0546 and wR=0.1523.X-ray analysis indicates that all rings are essentially planar in this molecule,and an intermolecular hydrogen bond C(9)-H(9)…N(2)and weak intramolecular interactions between S(1)…N(7),S(3)…N(1)and S(2)…N(4)are observed.