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Title: Crystal structure of methylprednisolone acetate form II, C 24H 32O 6

Abstract

The crystal structure of methylprednisolone acetate form II, C 24H 32O 6, has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Methylprednisolone acetate crystallizes in space groupP2 12 12 1(#19) witha= 8.17608(2),b= 9.67944(3),c= 26.35176(6) Å,V= 2085.474(6) Å 3, andZ= 4. Both hydroxyl groups act as hydrogen bond donors, resulting in a two-dimensional hydrogen bond network in theabplane. C–H…O hydrogen bonds also contribute to the crystal energy. The powder pattern is included in the Powder Diffraction File™ as entry 00-065-1412.

Authors:
; ; ;
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
INDUSTRY
OSTI Identifier:
1431371
Resource Type:
Journal Article
Resource Relation:
Journal Name: Powder Diffraction; Journal Volume: 33; Journal Issue: 01
Country of Publication:
United States
Language:
ENGLISH

Citation Formats

Wheatley, Austin M., Kaduk, James A., Gindhart, Amy M., and Blanton, Thomas N. Crystal structure of methylprednisolone acetate form II, C24H32O6. United States: N. p., 2018. Web. doi:10.1017/S0885715617001233.
Wheatley, Austin M., Kaduk, James A., Gindhart, Amy M., & Blanton, Thomas N. Crystal structure of methylprednisolone acetate form II, C24H32O6. United States. doi:10.1017/S0885715617001233.
Wheatley, Austin M., Kaduk, James A., Gindhart, Amy M., and Blanton, Thomas N. Wed . "Crystal structure of methylprednisolone acetate form II, C24H32O6". United States. doi:10.1017/S0885715617001233.
@article{osti_1431371,
title = {Crystal structure of methylprednisolone acetate form II, C24H32O6},
author = {Wheatley, Austin M. and Kaduk, James A. and Gindhart, Amy M. and Blanton, Thomas N.},
abstractNote = {The crystal structure of methylprednisolone acetate form II, C24H32O6, has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Methylprednisolone acetate crystallizes in space groupP212121(#19) witha= 8.17608(2),b= 9.67944(3),c= 26.35176(6) Å,V= 2085.474(6) Å3, andZ= 4. Both hydroxyl groups act as hydrogen bond donors, resulting in a two-dimensional hydrogen bond network in theabplane. C–H…O hydrogen bonds also contribute to the crystal energy. The powder pattern is included in the Powder Diffraction File™ as entry 00-065-1412.},
doi = {10.1017/S0885715617001233},
journal = {Powder Diffraction},
number = 01,
volume = 33,
place = {United States},
year = {Wed Jan 17 00:00:00 EST 2018},
month = {Wed Jan 17 00:00:00 EST 2018}
}