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Title: Crystal structure of hydrocortisone acetate, C23H32O6

Abstract

The crystal structure of hydrocortisone acetate has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Hydrocortisone acetate crystallizes in space groupP2 1(#4) witha= 8.85173(3) Å,b= 13.53859(3) Å,c= 8.86980(4) Å,β= 101.5438(3)°,V= 1041.455(6) Å 3, andZ= 2. Both hydroxyl groups form hydrogen bonds to the ketone oxygen atom on the steroid ring system, resulting in a three-dimensional hydrogen bond network. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™.

Authors:
; ;
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
INDUSTRY
OSTI Identifier:
1351327
Resource Type:
Journal Article
Journal Name:
Powder Diffraction
Additional Journal Information:
Journal Volume: 32; Journal Issue: 01; Journal ID: ISSN 0885-7156
Publisher:
Cambridge University Press
Country of Publication:
United States
Language:
ENGLISH

Citation Formats

Kaduk, James A., Gindhart, Amy M., and Blanton, Thomas N. Crystal structure of hydrocortisone acetate, C23H32O6. United States: N. p., 2017. Web. doi:10.1017/S0885715616000713.
Kaduk, James A., Gindhart, Amy M., & Blanton, Thomas N. Crystal structure of hydrocortisone acetate, C23H32O6. United States. doi:10.1017/S0885715616000713.
Kaduk, James A., Gindhart, Amy M., and Blanton, Thomas N. Wed . "Crystal structure of hydrocortisone acetate, C23H32O6". United States. doi:10.1017/S0885715616000713.
@article{osti_1351327,
title = {Crystal structure of hydrocortisone acetate, C23H32O6},
author = {Kaduk, James A. and Gindhart, Amy M. and Blanton, Thomas N.},
abstractNote = {The crystal structure of hydrocortisone acetate has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Hydrocortisone acetate crystallizes in space groupP21(#4) witha= 8.85173(3) Å,b= 13.53859(3) Å,c= 8.86980(4) Å,β= 101.5438(3)°,V= 1041.455(6) Å3, andZ= 2. Both hydroxyl groups form hydrogen bonds to the ketone oxygen atom on the steroid ring system, resulting in a three-dimensional hydrogen bond network. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™.},
doi = {10.1017/S0885715616000713},
journal = {Powder Diffraction},
issn = {0885-7156},
number = 01,
volume = 32,
place = {United States},
year = {2017},
month = {1}
}

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