Crystal structure of hydrocortisone acetate, C23H32O6. Issue 1 (11th January 2017)

• Record Type: Journal Article
• Authors: Kaduk, James A.; Gindhart, Amy M.; Blanton, Thomas N.
• Is Part Of: Powder diffraction. Volume 32:Issue 1(2017)
• Page Start: 31
• Page End: 34
• Publication Date: 2017-01-11
• Subjects: hydrocortisone acetate, -- powder diffraction, -- Rietveld refinement, -- density functional theory; Powder metallurgy -- Periodicals; Materials -- Analysis -- Periodicals; 620.1127
• DOI: 10.1017/S0885715616000713
• Languages: English
• ISSNs: 0885-7156

Abstract

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 group P 21 (#4) with a = 8.85173(3) Å, b = 13.53859(3) Å, c = 8.86980(4) Å, β = 101.5438(3)°, V = 1041.455(6) Å 3, and Z = 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™.