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含能材料  2006 

3,6-二(3′-氨基呋咱-4-基)-1,4-二氧杂-2,5-二氮杂环己-2,5-二烯的晶体结构

Keywords: 物理化学,高能化合物,3,6-二(3′-氨基呋咱-4-基)-1,4-二氧杂-2,5-二氮杂环己-2,5-二烯,晶体结构

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Abstract:

制备并表征了化合物3,6-二(3′-氨基呋咱-4-基)-1,4-二氧杂-2,5-二氮杂环己-2,5-二烯(BADDD)。其晶体结构参数为:Mr=252.17,三斜晶系,P-1空间群,a=0.48616(10)nm,b=0.5237(2)nm,c=0.97076(19)nm,α=102.25(3)°,β=93.631(17)°,γ=101.88(2)°,V=0.23489(12)nm3,Z=1,Dc=1.783g·cm-3,λ(MoKα)=0.071073nm,μ(MoKα)=0.153mm-1,F(000)=128,T=294(2)k,R1=0.0351andwR2=0.0875。BADDD分子由两个氨基呋咱环和一个由两个O原子,两个N原子和两个C原子组成的六元杂环构成。分子具有中心对称性。

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