苦味酸碳酰肼的制备和分子结构的研究

Preparation and Molecular Structure of CHZPA

论述了苦味酸碳酰肼的制备和分子结构测定的结果。采用了 X射线衍射、元素分析、红外光谱等对其进行了表征。晶体属于单斜晶系 ,P2 1/ c空间群 ,晶体学参数为 :a=1.184 0 (2 ) nm,b=1.30 96 (2 ) nm,c=0 .82 6 1(1) nm,β=10 9.2 1(1)°,V=1.2 0 96 (3) nm3 ,z=4 ,Dc=1.783g/ cm3 ,μ(Mo Kα) =16 0 m-1,F(0 0 0 ) =6 5 6。晶体结构经全矩阵最小二乘法修正 ,最终偏离因子 R=0 .0 4 5 7,WR=0 .12 4 3。

This paper deals with the preparation method and molecular structure analysis of picric carbohydrazide The product was characterized by element analysis and IR measurement. The crystal structure of (CHZPA) was determined by single crystal diffraction analysis The crystal is monoclinic with space group P2 1/c. The unit cell parameters are as follow : a =1.1840(2) nm, b =1.3096(2) nm, c =0.8261(1) nm, β =109.21(1)°, V =1.2096(3) nm 3, z =4, D c =1.783 g/cm 3, μ (Mo K α)=160 m -1 , F (000)=656? R =0.0457, WR =0.1243.