【摘要】 经1-[5′-氨基-1′-（4″-氯苯基）-1′,2′,3′-三唑-4′-甲酰基]-4-（3′-溴苯基）-3-氨基硫脲在浓硫酸作用下制得2-（3′-溴苯胺基）5-[5′-氨基-1′-（4″-氯苯基）-1′,2′,3′-三唑-4′-基]-1,3,4-噻二唑化合物.该化合物的晶体结构经X射线衍射分析确定,化合物属三斜晶系,P1空间群,a=1.1784（2）,b=1.4455（2）,c=1.1353（1）nm;α=100.68（1）,β=109.50（1）,γ=79.89（1）°;V=1.7779nm³;分子式C¹⁶H₁₁BrClN₇S,M_r=448.75;D_c=1.673g/cm³,Z=4,μ=58.16cm^-1,最终偏离因子 R=0.084,R_w=0.086.分析化合物的键长,键角数据表明,该分子具有离域π键结构.更多还原

【Abstract】 2- (3’ - Bromoanilino) - 5 - [5’ - amino - 1’ - (4" - chlorophenyl) - 1’,2’,3’ -triazol - 4’ - yl] - 1,3,4 - thiodiazole was prepared by 1 - [5’- amino - 1’- (4" - chlorophenyl) - 1’, 2’, 3’ - triazol - 4’ - yl] - 4- (3’ - bromophenyl) - 3 - thiosemicarbazides with concentrated sulfuric acid. The single crystalline structure of the new compound was determined by X - ray analysis. The crystal is triclinic system, space group P1, with a =1. 1784(2) ,b =1.4455(2),c = 1.1353(1)nm,α = 100.68(1),β = 109.50(1),γ = 79.89(1)°, V=1.7779nm3,C16H11BrClN7S,Mr = 448. 75,Dc = 1. 673g/cm3, Z = 4,μ=58. 16cm-1. The final R= 0.084,Rw = 0.086. This molecule is a structure of conjugated π - bond from analyzing the data of the bond distance and bond angle.更多还原