2 ,2′,5 ,5′-四氯-1 ,1′-偶氮-1 ,3 ,4-三唑的合成与晶体结构(英文)

Synthesis and Crystal Structure of 2,2′,5,5′-Tetrachloro-1,1′-azo-1,3,4-triazole

4-氨基-1,2,4-三唑与二氯异氰脲酸钠反应合成了2,2′,5,5′-四氯-1,1′-偶氮-1,3,4-三唑,利用X射线衍射分析方法测定了它的晶体结构。该化合物的晶体结构属三斜晶系,空间群P-1,a=6.2824(13) ,b=7.7173(15) ,c=10.443(2),α=89.16(3)°,β=88.20 (3)°,γ=89.10 (3)°,V=505.94(18) 3,Z=2,Mr=301. 92,DC=1.982mg·m-3,F(000) =296和μ(MoKα) =1.152mm-1,最终偏离因子R=0.0498,wR=0.1139,结构分析表明在三唑环和四氮烯键中有强的π电子共轭作用。

2,2＇ ,5,5 ＇-tetrachloro-1,1 ＇-azo-1,3,4-triazole （ 1 ） was synthesized by reaction of 4-amino-1,2,4-tfiazole and sodium dichloroisocyanurate（ SDCI）. Its structure ,sas determined by X-ra3, single crystal diffraction. It crystallizes in the triclinicspacegroup P-1, with α =6.2824（13）A, b=7.7173（15） A, c = 10.443（2） A, α= 89. 16（3）°,β=88.20（3）°,γ =89.10（3）°, V=505.94（18） A^3, Z=2, Mr =301.92, Dc = 1.982 mg·m^-3, F（000） =296 and μ（MoKα） = 1. 152 mm^- 1, the final R = 0. 0498 and wR = 0.1139. X-ray analysis reveals that a stronger πinteraction of the triazole units with the tetrazene moiety.