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测定了O,O(2,2′-联萘基)-N-(α-苯基乙基)膦酰胺(简称联萘酚膦酰胺,DNPA)RS体与乙醇形成的分子化合物晶体结构。晶体学数据为:C_(28)H_(22)NO_3P·C_2H_5OH,Mr=497.5,单斜晶系,P2_1空间群,α=9.359(2),b=12.806(3),c=11.641(A),β=111.62(3)°,Z=2,V=1294.0(5)(A)3,Dc=1.277g/cm ̄3,MoKa(λ=0.71073A)射线,μ=0.136mm ̄(-1),可观测数据3871个,F(000)=524,R=0.035,Rw=0.042。分子间以氢键相连接。RS体晶体结构与分子力学方法计算得到的SS体构象比较,发现这一对非对映体构象的差别由联萘基一边的构型决定。
The crystal structures of molecular compounds of O, O (2,2’-binaphthyl) -N- (α-phenylethyl) phosphonamide (DNPA) RS and ethanol were determined. The crystallographic data are: C_ (28) H_ (22) NO_3P · C_2H_5OH, Mr = 497.5, monoclinic system, P2_1 space group, α = 9.359 (2), b = 12.806 β = 111.62 (3) °, Z = 2, V = 1294.0 (A) 3, Dc = 1.277 g / cm 3, MoKa (λ = 0.71073A) rays, μ = 0.136 mm -1, observable data 3871, F (000) = 524, R = 0.035, Rw = 0.042. Intermolecular hydrogen bonding. RS body crystal structure and molecular mechanics calculated SS body conformation comparison found that the pair of diastereomer conformation differences determined by the binaphthyl side configuration.