Structure of 18-cyanoprogesterone, C22H29O2N

Paweł Grochulski*, Zdzisław Wawrzak, Zdzisław Gałdecki, Antoinette Viger, Suzy Coustal

*Corresponding author for this work

    Research output: Contribution to journalArticlepeer-review

    Abstract

    The crystal structure of 18-cyanoprogesterone was determined by X-ray diffraction methods:P212121a=7.436(2), b=11.322(2), c=22.642(2) Å. The structure was solved using Shelx-86. Final conventional R=0.054. Rw=0.051 for 1841 reflections. The A ring has an intermediate sofa-half-chair conformation with asymmetry parameters ΔCs /1=11.0, ΔC2 3,4=14.9. The steroid skeleton exhibits a flattening of the A ring relative to the rest of the molecule. The progesterone side chain has a typical conformation, and the C16-C17-C20-O20 torsion angle is -19.0(6)°.

    Original languageEnglish (US)
    Pages (from-to)429-432
    Number of pages4
    JournalJournal of Crystallographic and Spectroscopic Research
    Volume20
    Issue number5
    DOIs
    StatePublished - Oct 1 1990

    ASJC Scopus subject areas

    • Structural Biology
    • Condensed Matter Physics
    • Spectroscopy

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