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含能材料  2009 

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

Keywords: 有机化学,富氮化合物,2,2′,5,5′-四氯-1,1′-偶氮-1,3,4-三唑,合成,晶体结构

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Abstract:

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)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)A3,Z=2,Mr=287.22,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。

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