苦味酸氨基脲盐的制备与分子结构的研究  

Preparation and Molecular Structure of Semicarbazide Picric

作　　者：杨利[1] 张同来[1] 张建国[1] 邵兵[1] 冯长根[1] 郁开北[2] 

机构地区：[1]北京理工大学机电工程学院,北京100081 [2]中国科学院成都分院分析测试中心,四川成都610041

出　　处：《含能材料》2001年第2期73-76,共4页Chinese Journal of Energetic Materials

摘　　要：研究了苦味酸氨基脲盐的制备方法 ,并用元素分析、IR、DSC和X射线衍射对其进行了结构表征。其分子式为 :(H2 NCONHNH3 ) + [C6H2 (NO2 ) 3 O ] -。晶体属于三斜晶系 ,P墿的空间群 ,晶体学参数为 :a =5 .0 2 4(1) ,b =10 .2 0 9(1) ,c =11.5 5 1(1) ;α =79.0 0 (1)° ,β =81.11(1)° ,γ =82 .47(1)° ;V =5 71.42 (14 ) 3 ,Z =2 ,Dc=1.768g·cm-3 ,μ =0 .162mm-1,F(0 0 0 ) =3 12 ,R1=0 .0 3 2 4,Rw2 =0 .0The preparation method and structure analysis results were obtained for the salt made from semicarbazide and picric acid. The molecular structure was characterized by elemental analysis, IR and DSC. Its crystal structure was determined by the single crystal X ray diffraction method with a four circle diffractometer. The results show that the crystal is of triclinic system. Space group is Pī with crystal parameters of a =5.024(1), b =10.209(1), c =11.551(1); α =79.00(1)°, β =81.11(1)°, γ =82.47(1)° ; V =571.42(14) 3, Z =2, D c=1.768 g·cm -3 , μ =0.162 mm -1 , F (000)=312, R 1= 0.032 4 , Rw 2=0.087 4。

关 键 词：苦味酸氨基脲盐 制备 晶体结构 分子结构 

分 类 号：O627[理学—有机化学]