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

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 .0

The 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。