Structure of 17β-hydroxy-4-pregnen-20-yn-3-one, C21H28O2

Zdzisław Gałdecki*, Paweł Grochulski, Zdzisław Wawrzak, William L. Duax

*Corresponding author for this work

    Research output: Contribution to journalArticlepeer-review

    4 Scopus citations

    Abstract

    The crystal structure of 17 β-hydroxy-4-pregnen-20-yn-3-one, C21H28O2, was determined by means of X-ray diffraction methods. Mr=312.5, space group P21, a=6.493(1), b=21.065(3), c=6.478(1) Å, β=105.97(1)°, Vc=851.9(3) Å3, Z=2, Dx=1.22 Mg m-3, Cu Kα radiation (λ=1.54184 Å), μ(Cu Kα)=5.5 cm-1, F(000)=340. The structure was solved with Multan; final conventional R=0.032 (Rw=0.032) for 1803 reflections. The molecule studied (I) has an overall conformation almost identical to 19-norethindrone (II), although ring A of molecule (I) is slightly more bent toward the α direction of the steroid skeleton in comparison with molecule (II).

    Original languageEnglish (US)
    Pages (from-to)941-947
    Number of pages7
    JournalJournal of Crystallographic and Spectroscopic Research
    Volume19
    Issue number6
    DOIs
    StatePublished - Dec 1 1989

    ASJC Scopus subject areas

    • Structural Biology
    • Condensed Matter Physics
    • Spectroscopy

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