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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

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

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【作者】 康文俊吕扬郑启泰郭文生薛峰吴德东麦松威

【Author】 KANG Wen-Jun; Lu Yang ZHENG; Qi-Tai(Institute of Materia Medica,CAMS & PUMC, Beijing 100050)GUO Wen-Sheng(Department of Chemistry, Liaoning Normal, Dalain 116022)XUE Feng; WU De-Deng ;T. C. W. Mak(Depoment of Chemistry, The Chinese University of Hongkong,

【机构】 中国医学科学院中国协和医科大学药物研究所!北京100050辽宁师范大学化学系!大连116022香港中文大学化学系!香港香港中文大学化学?

【摘要】 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。

【Abstract】 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.

【关键词】 晶体结构包结物
【Key words】 crystal structureinclusion compound
【基金】 国家自然科学基金
  • 【文献出处】 结构化学 ,CHINESE JOURNAL OF STRUCTUNAL CHEMISTRY , 编辑部邮箱 ,1997年02期
  • 【分类号】O72
  • 【被引频次】3
  • 【下载频次】44
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