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

Raja Dey (Institutionen för kemi- och bioteknik, Molekylär bioteknik) ; Vratislav Langer (Institutionen för kemi- och bioteknik, Oorganisk miljökemi) ; P. Roychowdhury ; S. Roychowdhury ; M.G.B. Drew
Acta Crystallographica, Section C : Crystal Structure Communications (0108-2701). Vol. C61 (2005), 4, p. o201-o203.
[Artikel, refereegranskad vetenskaplig]

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.

Nyckelord: X-ray diffraction, conformation

Denna post skapades 2006-08-25. Senast ändrad 2007-10-17.
CPL Pubid: 3723


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Institutioner (Chalmers)

Institutionen för kemi- och bioteknik, Molekylär bioteknik (2005-2007)
Institutionen för kemi- och bioteknik, Oorganisk miljökemi (2005-2014)


Organisk kemi

Chalmers infrastruktur