The crystal and molecular structure of 9α, 11 β-dichloro-4-pregnene-3,20-dione, C21H28O2C12, has been determined:Mr=383.4, P31, a=7.358(2), c=30.137(20) Å, Vc=1413(2)Å3, Z=3, Dx=1.35 g cm-3, λ(Mo Kα)=0.71073Å, μ=3.6 cm-1, F(000)=612, T≈80K, R=0.060, Rw=0.052 for 2376 unique observed reflections. The steroid skeleton exhibits a flattening of the A ring relative to the rest of the molecule caused by halogen substituents. The title compound has a very high relative binding affinity for the rabbit uterine progesterone receptor. The high binding affinity may result from the flattening of the A ring relative to the rest of the steroid skeleton.
|Original language||English (US)|
|Number of pages||8|
|Journal||Journal of Crystallographic and Spectroscopic Research|
|State||Published - Jun 1 1989|
ASJC Scopus subject areas
- Structural Biology
- Condensed Matter Physics