摘要
乙酰基二茂铁与三甲基氰硅烷在CH2Cl2中ZnI2催化下加成,得到产率较高的α-氰基-α-二茂铁基乙氧三甲硅烷,用元素分析、IR和1HNMR进行了表征。经X射线单晶衍射法测试表明,该化合物属正交晶系,Pbca空间群,晶胞内分子数为8,化合物分子式为C16H21FeNOSi,Mr =327.28,a=1.1995(4)nm,b=1.2441(4)nm,c=2.2183(7)nm,β=90°,V=3.3103(18)nm3,Dcalc.=1.313g.cm-3,Z=8,最终偏离因子R=0.0456,ωR=0.0880。分析其结构表明,该化合物含有一个二茂铁基和氰基乙氧三甲基硅烷基,与二茂铁基相连的碳原子是手性原子,分子中存在超共轭效应。
The title compound,α-cyano-α-ferrocenylethoxytrimethylsilane （C16H21FeNOSi,Mr=327.28）, was synthesised by the reaction of adding trimethysilyl cynide to acetylferrocene, in the presence of ZnI2 in CH2Cl2, and characterized by ^1H NMR, IR and elemental analysis. The crystal structure was determined by X-ray diffraction methods. The compound crystallises in the orthorhombic space group Pbca, with the cell dimensions of a=1.1995（4）nm,b=1.2441（4）nm,c=2.2183（7）nm,β=90°,V=3.3103（18）nm^3,Z=8,Dcacl=1.313g·cm^-3,λ=0.071073nm,μ（MoKα）=0.979mm-1 and F（000）=1376. The structure was refined to R=0.0456 and ωR=0.0880 for 2148 observed reflections with I〉 2σ（I）. The molecule consists of a ferrocene unit and an ethoxytrimethysilane group and a super conjugate effect may exist in the title compound.
出处
《人工晶体学报》
EI
CAS
CSCD
北大核心
2007年第5期1100-1104,共5页
Journal of Synthetic Crystals
