胡秀荣, 顾建明, 陈林深, 皇甫永令. 伊维菌素(Ivermectin)晶体结构的研究J. 药学学报, 1998, 33(6): 449-452.
引用本文: 胡秀荣, 顾建明, 陈林深, 皇甫永令. 伊维菌素(Ivermectin)晶体结构的研究J. 药学学报, 1998, 33(6): 449-452.
Hu Xiurong, Gu Jianming, Chen Linshen , HuangPu Yonglin, . STUDIES ON THE CRYSTAL STRUCTURE OF IVERMECTIN (H2B1a)J. Acta Pharmaceutica Sinica, 1998, 33(6): 449-452.
Citation: Hu Xiurong, Gu Jianming, Chen Linshen , HuangPu Yonglin, . STUDIES ON THE CRYSTAL STRUCTURE OF IVERMECTIN (H2B1a)J. Acta Pharmaceutica Sinica, 1998, 33(6): 449-452.

伊维菌素(Ivermectin)晶体结构的研究

STUDIES ON THE CRYSTAL STRUCTURE OF IVERMECTIN (H2B1a)

  • 摘要: 用单晶X射线衍射法测定了伊维菌素Ivermectin(H2B1a)的结构。Ivermectin由大于80%的H2B1a和小于20%的H2B1b组成。H2B1a属单斜晶系,C2空间群,晶胞参数为a=40.763(6)A,b=9295(3)A,c=14.966(3)A,β=106.93(1)°,V=5425(2)A3,Z=4,Dc=1.156g·cm-3,μ(MoK)=0.084mm-1,R=0.0658。H2B1a呈沿C轴排列的链状结构,同时通过2次轴对称,实际结构为由两条链状分子呈平行分布,相互间距离一定,但方向相反的双链,类似于生物大分子的链状结构。

     

    Abstract: The crystal structure of ivermectin (H2B1a) was determined by X-ray diffraction. Ivermectin was found to be composed of more than 80% H2B1a and less than 20% H2B1b. The crystal of H2B1a belongs to the space group C 2 with a=40.736(6)A, b=9.295(3)A, c=14.966(3)A, β=106.93(1)°. After structure refinement using leastsquares method, the final R factor of H2B1a is 0.0658. The space configuration of H2B1a is a long chain along the Caxis. The molecular aggregates are extended into pairs of long chains parallel to each other, some distance apart. The distance between chains is the same, but their direction is opposite. This structure of H2B1a is similar to some biomacromolecules.

     

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