Skip to main content
SpringerLink
Log in

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

  • Published:
Journal of Crystallographic and Spectroscopic Research Aims and scope Submit manuscript

Abstract

The crystal structure of 17β-hydroxy-4-pregnen-20-yn-3-one, C21H28O2, was determined by means of X-ray diffraction methods.M r=312.5, space groupP21,a=6.493(1),b=21.065(3),c=6.478(1) Å,β=105.97(1)°,V c=851.9(3) Å3,Z=2,D x=1.22 Mg m−3, CuKα radiation (λ=1.54184 Å),μ(CuKα)=5.5 cm−1,F(000)=340. The structure was solved withMultan; final conventionalR=0.032 (R w=0.032) for 1803 reflections. The molecule studied (I) has an overall conformation almost identical to 19-norethindrone (II), although ringA of molecule (I) is slightly more bent toward theα direction of the steroid skeleton in comparison with molecule (II).

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  • Duax, W. L., and Norton, D. A. (1975)Atlas of Steroid Structure, Vol. 1 (Plenum Press, New York), p. 18.

    Google Scholar 

  • Griffin, J. F., Duax, W. L., and Weeks, C. M. (1984)Atlas of Steroid Structure, Vol. 2 (Plenum Press, New York), p. 31.

    Google Scholar 

  • International Tables for X-Ray Crystallography (1974) Vol. IV (Kynoch Press, Birmingham. Present distributor Kluwer Academic Publishers, Dortrecht).

  • Johnson, C. K. (1970)Ortep, A Fortran Thermal-ellipsoid Program for Crystal Structure Illustrations Report ORNL-3794 (Oak Ridge National Laboratory, Oak Ridge, Tenn.).

    Google Scholar 

  • Main, P., Hull, S. E., Lessinger, L., Germain, G., Declercq, J.-P. and Woolfson, M. M. (1980)Multan 80, A system of computer programs for automatic solution of crystal structures from X-ray diffraction data (Universities of York, England, and Louvain, Belgium).

    Google Scholar 

  • Mornon, J.-P., Lepicard, G., and Delettre, J. (1976)C. R. Acad. Sci. Paris 282, 387.

    Google Scholar 

  • Motherwell, W. D. S. (1976)Pluto, A program for plotting molecular and crystal structures (University Chemical Laboratory, Cambridge, England).

    Google Scholar 

  • Sheldrick, C. M. (1976)Shelx76. A program for crystal structure determination (University Chemical Laboratory, Cambridge, England).

    Google Scholar 

  • Spilman, C. H., Wilks, J. W., Beuving, D. C., and Forbes, K. K. (1980) Technical Report, The Upjohn Company, p. 16.

Download references

Author information

Authors and Affiliations

  1. Institute of General Chemistry, Technical University of Łódź, ul. Zwirki 36, 90-924, Łódź, Poland

    Zdzisław Gałdecki

  2. Institute of Physics, Technical University of Łódź, ul. Wólczańska 219, 93-005, Łódź, Poland

    Paweł Grochulski & Zdzisław Wawrzak

  3. Medical Foundation of Buffalo, Inc., 73 High Street Buffalo, 14203, New York, USA

    William L. Duax

Authors
  1. Zdzisław Gałdecki
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Paweł Grochulski
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Zdzisław Wawrzak
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. William L. Duax
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

About this article

Cite this article

Gałdecki, Z., Grochulski, P., Wawrzak, Z. et al. Structure of 17β-hydroxy-4-pregnen-20-yn-3-one, C21H28O2 . Journal of Crystallographic and Spectroscopic Research 19, 941–947 (1989). https://doi.org/10.1007/BF01160876

Download citation

  • Received:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF01160876

Keywords

Search

Navigation