莰烯酸酰胺的合成及其晶体结构

以莰烯为原料,经Vilsmeier-Haack反应、氧化反应、酰氯化反应、酰胺化反应,合成了新化合物莰烯酸酰胺,其结构经IR、元素分析、X-射线单晶衍射表征.合成的莰烯酸酰胺属triclinic晶系, P21/c空间群,晶胞参数为:a=1.2200(9) nm, b=0.8036(6) nm, c=1.0654(8) nm,α=90.000°,β=96.981(9)°,γ=90.000°, V=1.0368(13) nm3, Dc =1.161 g·cm?3, Z =1,μ=0.073 mm?1, F (000)=400, S =1.080,最后一致性因子为R1=0.0829, wR2=0.1829.化合物分子通过分子间N—H…O氢键作用相互堆积,形成空间3维结构.

The Synthesis and Crystal Structure for a New Camphene Acid Amide

A new camphene acid amide was synthesized from camphene via the Vilsmeier-Haack reaction, oxidation, acylation and amidation. The structure of the product was characterized by IR, elemental analysis and single crystal X-ray diffraction. The product belongs to triclinic system, P21/c space group, with a = 1.220 0(9) nm, b = 0.803 6(6) nm, c = 1.065 4(8) nm, α = 90.000°, β = 96.981(9)°, γ = 90.000°, V=1.036 8(13) nm3, Dc=1.161 g?cm?3, Z = 1, μ = 0.073 mm?1, F (000) = 400, S=1.080, R1=0.082 9, wR2=0.182 9. The 3D hydrogen bonding network structure is constructed via the intermolecular N—H…O hydrogen bond interactions.