Structure of 9α, 11β-dichloro-4-pregnene-3,20-dione, C21H28O2Cl2

Zdzisław Gałdecki*, Paweł Grochulski, Zdzisław Wawrzak, William L. Duax, Phyllis D. Strong

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

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 languageEnglish (US)
Pages (from-to)569-576
Number of pages8
JournalJournal of Crystallographic and Spectroscopic Research
Volume19
Issue number3
DOIs
StatePublished - Jun 1 1989

ASJC Scopus subject areas

  • Structural Biology
  • Condensed Matter Physics
  • Spectroscopy

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