21-Deoxycortisone (17 alpha-hydroxy4-pregnene-3,11,20-trione)

Dey, R., Langer, V., Roychowdhury, P., Roychowdhuryd, S. and Drew, M.G.B. (2005) 21-Deoxycortisone (17 alpha-hydroxy4-pregnene-3,11,20-trione). Acta Crystallographica Section C, 61 (4). O201-O203. ISSN 0108-2701 doi: 10.1107/S0108270105003756

Abstract/Summary

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 13 beta-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 beta side, with an angle of 9.60 (2)degrees between the C10-C19 and C13-C18 vectors. Molecular-packing and hydrogen-bonding (both intra- and inter-molecular) interactions play a major role in the structural association of the compound.