中文摘要：

以含多功能团的1′-碘代：茂铁甲醛为起始原料，设计合成了4种1′-碘代二茂铁甲醛肟酯类化合物3a～3d，并用IR，^1HNMR，MS和元素分析对其结构进行了确认，其中化合物3a的单晶结构经X射线单晶衍射确证其属单斜品系（Monoclinic），P2（1）／n空间群，晶胞参数：α=0．6328（3）nm，b=1．0634（7）nm，c=2，3815（13）nm，α=90°，β=93．546（19）°，γ=90°，Z=4，μ=2．883mm^-1，Dc=1．910g/cm3，F（000）=896．晶胞堆积图证明化合物3a的分子之间通过电子的授受作用、π-π堆积和氢键等弱相互作用组装成二三维四方形管状空穴结构．这种空穴结构可以选择性地对客体分子进行识别。

英文摘要：

The multi-functional 1′-iodoferrocenecarbaldehyde is a versatile building block in organic synthesis. Four novel 1′-iodoferrocenecarbaldehyde oxime esters were designed and synthesized on the basis of 1′-iodoferrocenecarbaldehyde. The compounds were confirmed by means of elemental analysis, IR spectrum, 1H NMR, MS and X-ray single-crystal diffraction analysis. The crystal of compound 3a belongs to a monoclinic system, space group P2（ 1 ）/n with cell parameters a =0. 6328（3） nm, b = 1. 0634（7） nm, c = 2.3815（13） nm, α=90°, β=93.546（19）°, γ =90°, Z=4,μ =2.883 mm-1, Dc =1.910 g/cm3, F（000） =896. The crystal structure of compound 3a shows that the molecules can form three-dimension supramolecular cavity assemblies via hydrogen bond, static interaction and aromatic π-π stacking interactions. This special assemblies could selectively recognise some of the guest molecules.