Crystal structure of hydrocortisone acetate, C23H32O6

Kaduk, James A.; Gindhart, Amy M.; Blanton, Thomas N.

doi:10.1017/S0885715616000713

Crystal structure of hydrocortisone acetate, C23H32O6

Journal Article · Wed Jan 11 04:00:00 EST 2017 · Powder Diffraction

DOI:https://doi.org/10.1017/S0885715616000713· OSTI ID:1351327

Kaduk, James A.; Gindhart, Amy M.; Blanton, Thomas N.

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™.

Research Organization:: Advanced Photon Source (APS), Argonne National Laboratory (ANL), Argonne, IL (US)

Sponsoring Organization:: INDUSTRY

OSTI ID:: 1351327

Journal Information:: Powder Diffraction, Journal Name: Powder Diffraction Journal Issue: 01 Vol. 32; ISSN 0885-7156

Publisher:: Cambridge University Press

Country of Publication:: United States

Language:: ENGLISH

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Crystal structure of hydrocortisone acetate, C23H32O6

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