The title compound 2-amino-4-（4-hydroxy-3,5-dimethoxyphenyl）-5-methyl-6- phenyl nicotinonitrile, C21H19N3O3, was synthesized via four-component reactions between propiophenone, malononitrile, syringaldehyde and ammo...The title compound 2-amino-4-（4-hydroxy-3,5-dimethoxyphenyl）-5-methyl-6- phenyl nicotinonitrile, C21H19N3O3, was synthesized via four-component reactions between propiophenone, malononitrile, syringaldehyde and ammonium acetate in ethanol under reflux without catalyst and characterized by IR, 1H NMR, 13C NMR, MS, EA and single-crystal X-ray diffraction. Single-crystal X-ray diffraction analysis shows that the compound is of monoclinic system, space group P21/n with a = 8.4600（17）, b = 17.139（3）, c = 13.408（3） A, β= 107.06（3）°, V= 1858.6（6） A3, Z = 4, Mr = 361.39, F（000） = 760, μ（MoKa） = 0.088 mm^-1 Dc = 1.292 g/cm3, 2 = 0.71073 A, the final R = 0.0751 and wR = 0.0938 for 3333 observed reflections with I〉 2σ（I）. The crystal packing of the title compound is stabilized by intermolecular hydrogen bonds.展开更多
基金supported by the President of the ChineseAcademy of Forestry Foundation (CAFYBB2008009)
文摘The title compound 2-amino-4-（4-hydroxy-3,5-dimethoxyphenyl）-5-methyl-6- phenyl nicotinonitrile, C21H19N3O3, was synthesized via four-component reactions between propiophenone, malononitrile, syringaldehyde and ammonium acetate in ethanol under reflux without catalyst and characterized by IR, 1H NMR, 13C NMR, MS, EA and single-crystal X-ray diffraction. Single-crystal X-ray diffraction analysis shows that the compound is of monoclinic system, space group P21/n with a = 8.4600（17）, b = 17.139（3）, c = 13.408（3） A, β= 107.06（3）°, V= 1858.6（6） A3, Z = 4, Mr = 361.39, F（000） = 760, μ（MoKa） = 0.088 mm^-1 Dc = 1.292 g/cm3, 2 = 0.71073 A, the final R = 0.0751 and wR = 0.0938 for 3333 observed reflections with I〉 2σ（I）. The crystal packing of the title compound is stabilized by intermolecular hydrogen bonds.
