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标题化合物的晶体结构已被测定。该化合物的组成为[(i一PrO)_2P(O)NHCONHCO《》一c1]其晶体属三斜晶系,pi空间群,晶胞参数为:a=9.0216(9)A.b=9.9652(48)A.c=11.9518(43)A,a=64.746(28)。,β=69.266(17)。,r=71.718(23)。,v=891.9 A_3.z=2.D_0=1.407g/cm3。2419个大于3(?)(I)反射点参加结构的最小二乘修正.最终R因子为O.076。结构分析结果表明.该化合物中的脲基为酮式不存在烯醇变体.同时证明,在晶体状态下.脲化合物分子不具有任何对称性,分子内部有六员环的内氢键结构,p原子与相邻原子为四面体配位。
The crystal structure of the title compound has been determined. The composition of the compound is triclinic, pi space group with the unit cell parameters of a = 9.0216 (9) Ab = 9.9652 (48) Ac = 11.9518 (43) A, a = 64.746 (28). , β = 69.266 (17). , r = 71.718 (23). , v = 891.9 A3.z = 2.D_0 = 1.407g / cm3.2419 The least-squares corrections for the participation structure of the reflex points greater than 3 (?) (I) The final R factor is O.076. The structural analysis results show that the ureido group in the compound is a keto-type enol-free variant, and at the same time, it is proved that the urea compound molecule does not have any symmetry in the crystal state and has an internal hydrogen bond structure of six- The p atom and the adjacent atom are tetrahedrally coordinated.