摘要
2-(2-吡啶基)咪唑(PyIm)在乙酸乙酯中缓慢挥发得到PyIm·CH_3COOC_2H_5的单晶。测定单晶结构,晶体学数据:C2/c空间群,a=2.5688(6)nm,b=0.8639(2)nm,c=1.694 2(4)nm,α=90.00°,β=128.383(4)°,γ=90.00°,V=2.947(13)nm^3,Z=8,s=0.951,最终残余因子(I>2σ(I))R_1=0.0479,wR_2=0.0816;对于全部数据R_1=0.0948,wR_2=0.0879。
The single crystal of PyIm · CH3COOC2H5 was obtained by slowly evaporating in ethyl acetate, and its crystal structure was determined by X - ray analyses. Crystal data： space group C2/c, a = 25. 688 （6） A, b = 8.639（2）A, c=16.942（4）A, α=90.00°, β=128.383（4）°, γ=90.00°, V=2947.1.4（13）（A^3）, Z=8, s= 0.951, final R indices（I 〉2σ（I））R） =0.047 9, wR2 =0.081 6; for all reflections R1 =0.094 8, wR2 =0.087 9.
出处
《化工时刊》
CAS
2010年第4期22-24,共3页
Chemical Industry Times
关键词
化合物
晶体结构
表征
complex crystal Structure characterization
