【摘 要】
：
The crystal of the title compound, 3-(4-Methoxyl)-phenyl-5-cyano-6-methylthio pyrimidine-2, 4-diones, ([C13H11N3O3S]2, Mr=578.62), has been prepared and determi
【机 构】
：
State Key Laboratory of Elemento-Organic Chemistry
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The crystal of the title compound, 3-(4-Methoxyl)-phenyl-5-cyano-6-methylthio pyrimidine-2, 4-diones, ([C13H11N3O3S]2, Mr=578.62), has been prepared and determined by X-ray diffraction. The crystal belongs to the monoclinic system, space group P21/n with parameters: α = 11.602(2), b = 15.921(3), c = 13.918(3)A, β = 94.38(3)°, V= 2563(1) A3, Z = 4,Dc = 1.499g/cm3,μ (MoKα)= 2.64cm-1, F(000)=1200. R and Rw are 0.054 and 0.059, respectively,for 1692 observed unique reflections. The pyrimidione ring is six-menbered plane, and the dihedral angle between the pyrimidione ring and benzene ring is 121.05°. From the above result, it could be predicted that the negative atoms among the title compound might interact with target D1 protein, and thus express its inhibitory activity.
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