螺[吲哚-3,3'-吡咯嗪]-2-酮骨架构建及结构表征

 以查尔酮、5-甲基靛红和脯氨酸为原料，微量的甲醇作溶剂，多组分一步合成得到螺[吲哚-3，3'-吡咯嗪]-2-酮化合物C₂₇H₂₄ClN₃O₂。其结构通过单晶X射线衍射法确定，晶体属单斜晶系，空间群P₂（1）/c，分子量M_r=504.01，晶胞参数a=0.84907（6）nm，b=1.07072（9）nm，c=2.9121（4）nm，V=2.6415（5）nm³，Z=4，晶胞密度D_c=1.267 mg/m³，吸收系数μ=0.180 mm^-1，单胞中电子的数目F（000）=1064。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R=0.0657，ω_R=0.1376。在晶体结构中新形成的四氢吡咯环为信封式构象。

Construction and characterization of spiro[indoline-3,3'-pyrrolizin]-2-one skeleton

The title compound spiro[indoline-3,3'-pyrrolizin]-2-one C₂₇H₂₄ClN₃O₂ is synthesized by the one-pot multicomponent reaction of chalcone, 5-methylisatin and proline in trace amounts of methanol under stirring at 60℃. Its structure is determined by single crystal X-ray diffraction. The crystal is monoclinic, space group P₂(1)/c, with M_r=504.01, a=0.84907(6) nm, b=1.07072(9) nm, c=2.9121(4) nm, V=2.6415 (5) nm³, Z=4, D_c=1.267 mg/m³, μ=0.180 mm^-1, and F(000)=1064. The structure is solved by direct methods and refined by full-matrix least squares method to the final R=0.0657 and ω_R=0.1376. X-ray analysis reveals that the newly formed ring of tetrahydropyrrole in the crystal structure is of envelope conformation.