CAJ | 학술논문

以含多功能团的1′-碘代二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, ~1H NMR, 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晶系(Monoclinic), P2(1)/n空间群, 晶胞参数: 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), D_c=1.910 g/cm~3, 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.
이함다공능단적1′-전대이무철갑철위기시원료, 설계합성료4충1′-전대이무철갑철우지류화합물3a～3d, 병용IR, ~1H NMR, MS화원소분석대기결구진행료학인, 기중화합물3a적단정결구경X사선단정연사학증기속단사정계(Monoclinic), P2(1)/n공간군, 정포삼수: 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), D_c=1.910 g/cm~3, F(000)=896. 정포퇴적도증명화합물3a적분자지간통과전자적수수작용、 π-π퇴적화경건등약상호작용조장성삼유사방형관상공혈결구. 저충공혈결구가이선택성지대객체분자진행식별.
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), D_c=1.910 g/cm~3, 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.