主体分子2,2′-二羟基-1,1′-二萘与客体分子乙酸乙酯晶态包结物的研究

用X射线单晶衍射分析法研究主体分子2，2’-二羟基-1，l’-二萘与客体分子乙酸乙酯（3：1）晶态包结物的晶体结构。其化学式为C64H50O8，Mr=947．08。晶体属三斜晶系，空间群为P1。晶胞参数：个独立衍射点，5823个可观察点（F≥3σF）。2，2’-二羟基-1，1’-二萘与乙酸乙酯形成以氢键联系的包结物3个主体分子中的6个羟基形成21环的氢键体系。

Crystal Structure of Crystalline Inclusion Compound Involving the 2, 2′-Dmydroxy-1,1′-Binaphthyl Hosts and an Ethyl acetate Guest

The inclusion compound of 2, 2' -dihydroxy-1, 1' -binaphthyl and ethyhate has been made and its structure has been determined from single crystal X-ray diffraction data. The crystal is triclinic, space group Pl, with the unit cell dimensions α = 10. 349 (5), b= 10. 973 (2), c =22. 757 (3), α=81. 29(1), β= 79. 04(3), γ=77. 32(2)°, Z=2, V=2459. O(1) , Dx= 1. 279 g/cm3, F(000) =996. The structure model was refined to R=0. 055, Rw= 0.056. The number of unique none-zero reflections are 7032, and among them 5823 are observable ( F≥ 3a l F I ). A host molecule connects with two other host molecules by o-H...O hydrogen bonds. And so the host crystal lattice comprises cyclic H-bond systems. The interactions between host molecul6s and guest molecules are not only van der Walls'forces but also H-bond forces.