The title compound, C18H13N3O2, has been synthesized for the first time by the multicomponent reaction of cyclopentanone, malononitrile and benzo[d][1,3]dioxole-5-carbalde-hyde in the presence of triethylamine. The st...The title compound, C18H13N3O2, has been synthesized for the first time by the multicomponent reaction of cyclopentanone, malononitrile and benzo[d][1,3]dioxole-5-carbalde-hyde in the presence of triethylamine. The structure has been determined by NMR, MS and single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group P with a = 10.476(5), b = 10.973(5), c = 13.825(5), α = 87.244(5), β = 73.296(5), γ = 82.097(5)°, C18H13N3O2, Mr = 303.31, V = 1507.6(11) 3, Z = 4, Dc = 1.336 g/cm3, F(000) = 632, μ = 0.090 mm-1, R = 0.0431 and wR = 0.1051. There exist intermolecular N-H…N hydrogen bonds in the title compound.展开更多
基金supported by the Natural Science Foundation of Shandong Province (No. ZR2010BQ022)
文摘The title compound, C18H13N3O2, has been synthesized for the first time by the multicomponent reaction of cyclopentanone, malononitrile and benzo[d][1,3]dioxole-5-carbalde-hyde in the presence of triethylamine. The structure has been determined by NMR, MS and single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group P with a = 10.476(5), b = 10.973(5), c = 13.825(5), α = 87.244(5), β = 73.296(5), γ = 82.097(5)°, C18H13N3O2, Mr = 303.31, V = 1507.6(11) 3, Z = 4, Dc = 1.336 g/cm3, F(000) = 632, μ = 0.090 mm-1, R = 0.0431 and wR = 0.1051. There exist intermolecular N-H…N hydrogen bonds in the title compound.