21-Deoxycortisone (17α-hydroxy-4-pregnene-3,11,20-trione)
Journal article, 2005

The title compound, C21H28O4, a synthetic glucocorticoid, crystallizes with a single molecule in the asymmetric unit. Ring A is almost in a half-chair conformation, rings B and C are almost in chair conformations, and ring D is between a twist and a 13β-envelope conformation. The A/B ring junction is quasi-trans, whereas the B/C and C/D ring junctions both approach trans characteristics. The molecule as a whole is slightly convex towards the β side, with an angle of 9.60(2)° between the C10-C19 and C13-C18 vectors. Molecular-packing and hydrogen-bonding (both intra- and intermolecular) interactions play a major role in the structural association of the compound.

conformation

X-ray diffraction

Author

Raja Dey

Chalmers, Chemical and Biological Engineering, Molecular Biotechnology

Vratislav Langer

Chalmers, Chemical and Biological Engineering, Environmental Inorganic Chemistry

P. Roychowdhury

S. Roychowdhury

M.G.B. Drew

Acta Crystallographica Section C: Crystal Structure Communications

0108-2701 (ISSN) 1600-5759 (eISSN)

Vol. C61 4 o201-o203

Subject Categories

Chemical Sciences

Organic Chemistry

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Created

10/6/2017