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5,5’-偶氮四唑-5-氮氧化物钠五水合物的晶体结构及相关理论研究

Keywords: 偶氮四唑,氮氧化,晶体结构,含能离子盐

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Abstract:

化合物5,5’-偶氮四唑钠(2)在稀盐酸中分解得到5-肼基四唑盐酸盐(3),5-肼基四唑盐酸盐与氢氧化钠中和后除去产物中的NaCl,在甲醇中重结晶得到5,5’-偶氮四唑-5-氮氧化物钠五水合物(4),采用MS,元素分析等对这些化合物进行表征.用X射线单晶衍射法测定获得了化合物3和4的晶体数据.化合物3属于单斜晶系,P2(1)/n空间群,其晶胞参数a=0.438(2)nm,b=2.3956(2)nm,c=0.4936(2)nm,Z=4,V=0.546(4)nm3,Dc=1.659g/cm3,F(000)=280;化合物4属于三单斜晶系,P-1空间群,其晶胞参数a=0.71581(19)nm,b=0.7663(2)nm,c=1.1933(4)nm,Z=2,V=0.6027(3)nm3,Dc=1.742g/cm3,F(000)=324.

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