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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=1.7779nm~3;分子式C~(16)H_(11)BrClN_7S,M_r=448.75;D_c=1.673g/cm~3,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.
(4’-chlorophenyl) -1 ’, 2’, 3’-triazole-4’-formyl] -4- (3’-bromophenyl) -3-thiosemicarbazide A solution of 2- (3’-bromoanilino) 5- [5’-amino-1’- (4’-chlorophenyl) -1 ’, 2’, 3 ’-triazole-4’-yl] -1,3,4-thiadiazole compound. The crystal structure of the compound was confirmed by X-ray diffraction analysis. The compound belongs to the triclinic system. Space group P1 has 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) °; 16) H 11 BrClN 7 S, M_r = 448.75; D_c = 1.673 g / cm 3, Z = 4, μ = 58.16 cm -1, final deviation factor R = 0.084, R_w = 0.086. Long, bond angle data show that the molecule has delocalized π-bond structure.