Crystal structure of flumethasone, C22H28F2O5

被引：0

作者：

Kaduk, James A. ^{[1
,2
]}

Dosen, Anja ^{[3
]}

Blanton, Thomas N. ^{[3
]}

机构：

[1] IIT, Dept Chem, Chicago, IL 60616 USA

[2] North Cent Coll, Dept Phys, Naperville, IL 60540 USA

[3] ICDD, Newtown Sq, PA 19073 USA

来源：

POWDER DIFFRACTION | 2025年 / 40卷 / 02期

基金：

加拿大创新基金会; 加拿大自然科学与工程研究理事会;

关键词：

flumethasone; flumetasone; crystal structure; Rietveld refinement; density functional theory; GRAPH-SET; PATTERNS; DENSITY;

D O I：

10.1017/S0885715625000120

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

The crystal structure of flumethasone has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional theory techniques. Flumethasone crystallizes in space group P21 (#4) with a = 6.46741(5), b = 24.91607(20), c = 12.23875(11) & Aring;, beta = 90.9512(6)degrees, V = 1971.91(4) & Aring;3, and Z = 4 at 298 K. The crystal structure consists of O-H & ctdot;O hydrogen-bonded double layers of flumethasone molecules parallel to the ac-plane. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File (TM) (PDF (R)).

引用

页码：128 / 133

页数：6