Synthesis and Molecular Structure of 5-Amino-7-(benzo[d][1,3]dioxol-5-yl)-2,3-dihydro-1H-indene-4,6-dicarbonitrile  

作　　者：刘雷芳 

机构地区：[1]Department of Chemistry,Dezhou University

出　　处：《Chinese Journal of Structural Chemistry》2013年第5期649-652,共4页结构化学（英文）

基　　金：supported by the Natural Science Foundation of Shandong Province (No. ZR2010BQ022)

摘　　要：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.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.

关 键 词：crystal structure triclinic system multicomponent reaction 

分 类 号：O626[理学—有机化学]