关键词: α-氰基-α-二茂铁基乙氧三甲硅烷;合成;晶体结构

Abstract: The title compound, α-cyano-α-ferrocenylethoxytrimethylsilane(C16 H21 FeNOSi,Mr=327.28),was synthesised by the reaction of adding trimethysilyl cynide to acetyfferrocene, in the presence of ZnI2 in CH2 Cl2, and characterized by1H 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)nm3,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.

Key words: The title compound, α-cyano-α-ferrocenylethoxytrimethylsilane(C16 H21 FeNOSi,Mr=327.28),was synthesised by the reaction of adding trimethysilyl cynide to acetyfferrocene, in the presence of ZnI2 in CH2 Cl2, and characterized by1H 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)nm3,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.