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

被引：41

作者：

Pan QingQing ^{[1
]}

Guo Ping ^{[1
]}

Duan Jiong ^{[1
]}

Cheng Qiang ^{[1
]}

Li Hui ^{[1
]}

机构：

[1] Sichuan Univ, Coll Chem Engn, Chengdu 610015, Peoples R China

来源：

CHINESE SCIENCE BULLETIN | 2012年 / 57卷 / 30期

关键词：

griseofulvin; crystal structure; powder X-ray diffraction; single-crystal X-ray diffraction;

D O I：

10.1007/s11434-012-5245-5

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

In an attempt to compare crystal structure determination from powder data and single-crystal data, crystal structure of griseofulvin (C17H17ClO6) was tested by both powder and single-crystal X-ray diffraction. Lattice parameters of griseofulvin are a=90.0A degrees, a=b=8.9757 , c=19.9345 , V=1605.99 (3) from powder data coinciding with alpha=90.0A degrees, 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.

引用

页码：3867 / 3871

页数：5

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