Comparative crystal structure determination of griseofulvin:Powder X-ray diffraction versus single-crystal X-ray diffraction  

作　　者：PAN QingQing GUO Ping DUAN Jiong CHENG Qiang LI Hui 

机构地区：[1]College of Chemical Engineering,Sichuan University,Chengdu 610065,China

出　　处：《Chinese Science Bulletin》2012年第30期3867-3871,共5页

摘　　要：In an attempt to compare crystal structure determination from powder data and single-crystal data,crystal structure of griseofulvin(C 17 H 17 ClO 6) was tested by both powder and single-crystal X-ray diffraction.Lattice parameters of griseofulvin are α=90.0°,a=b=8.9757,c=19.9345,V=1605.99 3 from powder data coinciding with α=90.0°,a=b=8.9714,c=19.8848,V=1600.46 3 from single-crystal data.Main processes of structure elucidating of griseofulvin by the two approaches were analyzed.Powder X-ray diffraction was demonstrated to be a powerful auxiliary implement to single-crystal X-ray diffraction in structure characterization,and its application can be popularized in the field of structure research of small organic molecules.In an attempt to compare crystal structure determination from powder data and single-crystal data, crystal structure of griseofulvin （C17HI7C106） was tested by both powder and single-crystal X-ray diffraction. Lattice parameters of griseofulvin are a=90.0°, a=b=8.9757A, c=19.9345A, V=1605.99A3 from powder data coinciding with a=90.0°, a=b=8.9714 A, c=19.8848A, V=1600.46 A3 from single-crystal data. Main processes of structure elucidating of griseofulvin by the two approaches were analyzed. Powder X-ray diffraction was demonstrated to be a powerful auxiliary implement to single-crystal X-ray diffraction in structure charac- terization, and its application can be popularized in the field of structure research of small organic molecules.

关 键 词：单晶X-射线衍射 晶体结构 灰黄霉素 粉末 测定 晶胞参数 辅助工具 结构特征 

分 类 号：Q93[生物学—微生物学]