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标题化合物(C18H17Cl2N3O5)以阿脲水合物和N-3,5-二氯苯基烯胺酮为原料,在醋酸溶剂中,室温下经搅拌合成得到.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P21/c,相对分子质量Mr=426.25,晶胞参数a=1.018 11(12)nm,b=0.673 01(7)nm,c=2.935 2(2)nm,V=2.007 5(4)nm3,Z=4,晶胞密度Dc=1.410g/cm3,吸收系数μ=0.358mm-1,单胞中电子的数目F(000)=880.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=0.060 1,ωR=0.141 0.在晶体结构中新形成的吲哚杂环近似于共平面结构.
The title compound (C18H17Cl2N3O5) was synthesized from allotassium urea and N-3,5-dichlorophenylazetidinone in acetic acid by stirring at room temperature.The structure was confirmed by single crystal X-ray diffraction (XRD) The crystal belongs to the monoclinic system with the space group P21 / c, relative molecular mass Mr = 426.25, unit cell parameters a = 1.018 11 (12) nm, b = 0.673 01 (7) nm and c = 2.935 2 V = 2.007 5 (4) nm3, Z = 4, the cell density Dc = 1.410g / cm3, the absorption coefficient μ = 0.358mm-1, the number of electrons in the unit cell F (000) = 880. The crystal structure was determined by the direct method Solve the full matrix least square method to modify the atomic parameters, the final deviation factor R = 0.060 1, ωR = 0.141 0. In the crystal structure of the newly formed indole heterocyclic ring is similar to the coplanar structure.