论文部分内容阅读
标题化合物C19H23NO5由间羟基苯甲醛、碳酸氢铵、乙酰乙酸乙酯在乙醇溶剂中回流制备。结构通过单晶X-射线衍射法测定,其晶体属三斜晶系,空间群P墿,a=7.4550(15),b=8.9780(18),c=14.099(3),α=80.22(3),β=86.72(3),γ=68.62(3)°,V=865.9(3)3,Z=2,Mr=345.38,Dc=1.325g/cm3,F(000)=368。晶体结构用直接法解出,经全矩阵最小二乘法对原子参数进行修正,最终的偏离因子为R1=0.0633,wR2=0.1709[I>2σ(I)]。在晶体结构中,二氢吡啶环与苯环之间的二面角为90.0(2)°,分子通过氢键形成有隧道的一维超分子结构。
The title compound C19H23NO5 was prepared from m-hydroxybenzaldehyde, ammonium bicarbonate, ethyl acetoacetate by refluxing in ethanol solvent. The structure was determined by single crystal X-ray diffraction. The crystal belongs to the triclinic system with space group P 墿, a = 7.4550 (15), b = 8.9780 (18), c = 14.099 ), β = 86.72 (3), γ = 68.62 (3) °, V = 865.9 (3) 3, Z = 2, Mr = 345.38, Dc = 1.325 g / cm3, F (000) = 368. The crystal structure is solved by the direct method, and the atomic parameters are corrected by full matrix least square method. The final deviation factor is R1 = 0.0633, wR2 = 0.1709 [I> 2σ (I)]. In the crystal structure, the dihedral angle between the dihydropyridine ring and the benzene ring is 90.0 (2) °. The molecule forms a tunneling one-dimensional supramolecular structure through hydrogen bonding.