氰基胍分子结构的研究  

Study on Molecular Structure of [NHC(NH_2)_2]CN

作　　者：项光其[1] 刘爱丽[1] 缪谦[1] 

机构地区：[1]温州师范学院化学与材料科学学院,浙江温州325027

出　　处：《温州师范学院学报》2003年第2期20-22,共3页Journal of Wenzhou Teachers College(Philosophy and Social Science Edition)

摘　　要：通过硫脲与氯乙酸反应制备了氰基胍,由红外光谱分析得出产物有氰基胍的特征峰并用四圆衍射仪测得了其结构。结果表明,该晶体属单斜晶系,空间群为C2/c,晶体学参数为:a=1.4978(2)nm,b=0.4497(1)nm,c=1.3109(2)nm;α=90°,β=115.37(1)°,γ=90°;V=0.7978(2)nm^3,Z=8,D_C=1.400g·cm^(-3),μ=1.04cm^(-1),F(000)=352;最终偏离因子R=0.0387,ωR=0.1075.The compound of [NHC(NH2)2]CN was prepared through the reaction of thiocarbamide and chloroethanoic acid. The compound was synthesized by elemental analysis and IR.The crystal structure of [NHC(NH2)2]CN was determined by the single crystal diffraction. The result shows the crystal is monoclinic group C2/c, a=1.4978(2)nm , b=0.4497(1)nm , c=1.3109(2)nm; α=90° , β=115.37(1)° ,γ=90° ; V=0.7978(2)nm3, Z=8 , Dc=1.400g·cm3, μ = 1.04cm-1, F(000)=352; The final R=0.0387, ω R=0.1075.

关 键 词：氰基胍 分子结构 单斜晶系 

分 类 号：O621.256.2[理学—有机化学]