2,4-二硝基咪唑二甲基铵盐的制备及晶体结构  

Preparation and Crystal Structure of N,N-dimethyl Ammonium Salt of 2,4-Dinitroimidazole

作　　者：景梅[1,2] 舒远杰[1] 王军[1] 张晓玉[1] 马卿[1] 黄奕刚[1] 

机构地区：[1]中国工程物理研究院化工材料研究所,四川绵阳621900 [2]西南科技大学材料科学与工程学院,四川绵阳621010

出　　处：《含能材料》2013年第6期702-705,共4页Chinese Journal of Energetic Materials

基　　金：中国工程物理研究院预研专题(KZ-10;2012B0302036;2013B0302039)

摘　　要：以2,4-二硝基咪唑为原料,经中和、取代两步反应合成出了2,4-二硝基咪唑二甲基铵盐[(DNI)NH2(CH3)2],产率为62.7%。用IR、1H NM R及13C NM R、元素分析和单晶X-射线衍射对其分子和晶体结构进行了表征。结果表明:该晶体属于单斜晶系,空间群C2/c,a=31.403(5),b=6.7133(7),c=22.769(4),α=90.00°,β=126.80(3)°,γ=90.00°,V=3843.6(10)3,Z=16,D c=1.404 g·cm-3,F(000)=1696.0,μ(MoKα)=0.121 mm-1。分子内及分子间氢键作用微弱,分子堆积不紧密,密度较小。并用TG-DSC对[(DNI)NH2(CH3)2]进行了热分解研究,表明其分解经过两步,熔点190.7℃,热稳定性良好。A new energetic salt of 2,4-dinitroimidazole （[（DNI）NH2 （CH3）2]） was synthesized with yield of 62.7% by using 2,4-dinitroimidazole as starting materials. The structure of [（DNI）NH2 （CH3）2] was characterized by IR, elemental analysis, fourcircle single crystal X-ray diffraction NMR. Results show that the crystal of title compound belongs to monoclinic system, space group C2/c with a=31.403（5） ,b=6.7133（7） ,c=22.769（4） ,α= 90.00°,β=126.80（3）°,γ=90.00°,V=3843.6（10） 3,Z=16,Dc=1.404 g ·cm-3, F（000） = 1696.0, μ（MoKα） = 0.121 mm-1. The molecule packing of [（DNI）NH2 （CH3）2] is not compacted. Intra molecular and intermolecular hydrogen bonds are weak and the density is lower. Thermal properties were tested by TG-DSC. Results reveal that the [（DNI）NH2 （CH3）2] shows good thermal stability.

关 键 词：有机化学 含能化合物 2 4-二硝基咪唑 制备 晶体结构 热性能 

分 类 号：TQ560.1[化学工程—炸药化工] O623.731[理学—有机化学]