硝基胍分子结构的研究  

Study on Molecular Structure of Nitroguanidine

作　　者：杨利[1] 张同来[1] 张建国[1] 邵兵[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]中科院成都有机所分析测试中心,四川成都640041

出　　处：《火工品》2001年第1期11-13,共3页Initiators & Pyrotechnics

摘　　要：论述了硝基胍的单晶制备及分子结构的测定。硝基胍晶体属正交晶系 ,Fdd2空间群 ,晶体参数为 :a =1.70 6 2 1(3)nm ,b =2 .486 2 (3)nm ,c=0 .35 940 (10 )nm ,V =1.5 745 (5 )nm3 ,Z =8,Dc=1.75 6 g·cm-3 ,μ =1.6 0cm-1,F(0 0 0 ) =86 4。最终偏离因子R =0 .0 2 5 2 ,ωR =0 .0 70This paper introduces the preparation method of single crystal and the molecular structure of nitroguanidine. The obtained results show that the crystal of nitroguanidine belongs to orthorhombic with space group Fdd2. The unit cell parameters are as follows: a =1.70621(3)nm, b =2.4862(3)nm, c =0.35940(10)nm, V =1.5745(5)nm 3, Z =8, D c =1.756g·cm -3 , μ =1.60cm -1 , F (000)=864. The final R =0.0252, ωR =0.0701。

关 键 词：硝基胍 分子结构 正交晶系 

分 类 号：O623.737[理学—有机化学] TQ226.37[理学—化学]