3-氨基-4-氨基肟基呋咱的合成及其晶体结构  

Synthesis of 3-Amino-4-aminoximidofurazan and Its Crystal Structure

作　　者：王军[1] 董海山[1] 黄奕刚[1] 李金山[1] 周小清[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

出　　处：《合成化学》2006年第3期234-239,共6页Chinese Journal of Synthetic Chemistry

基　　金：中国工程物理研究院重大基金资助项目(2002Z0501)

摘　　要：以丙二腈为原料,用一锅法合成了呋咱类含能化合物3-氨基-4-氨基肟基呋咱(AAOF),收率72.4%。用1H NMR,13C NMR,IR,MS,元素分析和四圆单晶X-射线衍射仪对其分子和晶体结构进行了表征。结果表明:AAOF晶体属单斜晶系,空间群P21/c。主要晶体结构参数为:a=0.7651(3)nm,b=1.1702(3)nm,c=1.9216(10)nm,β=96.47(4)°,V=1.7095(12)nm3,Z=12,Dc=1.668 g.cm-3,F(000)=888。AAOF分子共面性较好,晶体中存在分子内和分子间氢键。A new energetic furazano compound, 3-amino-4-aminoximidofurazan（AAOF）, was syn- thesized in yield of 72.4% using dicyanopropane as initial material by one-pot method. The structure of AAOF was confirmed by ^1H NMR, ^13C NMR, IR, MS, elemental analysis and the crystal structure was characterized by four-circle single-crystal X-ray diffraction. Its crystal is monoclinic, space group P21/c with a=0.7651（3）nm,b=1.1702（3）nm,c=1.9216（10）nm,β=96.47（4）°,V=1.7095（12）nm^3,Z=12,Dc=1.668g·cm^-3,F（000）=888. The molecule of AAOF is planar. There are intra- and inter-molecular hydrogen bonds in the crystal.

关 键 词：含能化合物 肟基呋咱 合成 晶体结构 

分 类 号：O626.27[理学—有机化学]