Skip to main content
SpringerLink
Log in

Crystal and molecular structure of 17-β-methyl-α-isolupanineN-(16)-oxide perchlorate monohydrate

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

Abstract

[C16H27N2O2]+·ClO −4 ·H2O,M r=396.87, orthorhombicP212121 a=13.708(4),b=16.930(7),c=8.311(3) Å,V=1928.3(13) Å3,Z=4,D x=1.367(2) g cm−3,λ(MoKα)=0.71068 Å,μ(MoKμ)=1.95 cm−1,F(000)=848,T=292 K,R=0.061 for 1324 unique reflections. RingsA,B,C,D have half-chair, chair, chair and chair conformations, respectively; the quinolizidone moietyA/E has a quasi-trans and the quinolizidine moietyC/D has a trans configuration. The cations are connected into chains along the crystallographic direction [001] by strong hydrogen bonds utilizing the water molecule: C(2)=O(5)⋯O(W)⋯O(6)-N(16) of 2.623(7) and 2.574(7) Å, respectively. The water molecule is also hydrogen-bonded to one oxygen atom of the perchlorate anion: O(W)⋯O(2) is 3.106(10) Å. A very short intramolecular distance between N(1) and O(6) of 2.696(7) Å, due to the quasitrans-trans configuration of theα-isolupanine skeleton, is observed.

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 (Plenum, London).

    Google Scholar 

  • Johnson, C. K. (1965)ORTEP Report ORNL-3794 (Oak Ridge National Laboratory, Tennessee).

    Google Scholar 

  • Kaluski, Z., Gusiev, A. I., Struchkov, J. T., Skolik, J., Baranowski, P., and Wiewiórowski, M. (1972)Bull. Acad. Polon. Sci. Ser. Sci. Chim. 20, 1–14.

    Google Scholar 

  • Katrusiak, A., and Kałuski, Z. (1988a)J. Crystallogr. Spectr. Res. 18, 375–385.

    Google Scholar 

  • Katrusiask, A., and Kałuski, Z. (1988b)J. Crystallogr. Spectr. Res. 18, 365–373.

    Google Scholar 

  • Katrusiak, A., Ratajczak-Sitarz, M., and Kaluski, Z. (1987)Acta Cryst. C43, 2386–2389.

    Google Scholar 

  • Klyne, W., Scopes, P. N., Thomas, R. N., Skolik, J., Gawroński, J., and Wiewiórowski, M. (1974)J. Chem. Soc. Perkin Trans. I, 2565–2570.

    Google Scholar 

  • Lehmann, M. S., and Larsen, F. K. (1974)Acta Cryst. A30, 580–584.

    Google Scholar 

  • Małuszyńska, H., and Okaya, Y. (1977)Acta Cryst. B33, 3889–3891.

    Google Scholar 

  • Małuszyńska, H., Skrzypczak-Jankun, E., Perkowska, A., and Kałuski, Z. (1980)J. Crystallogr. Spectr. Res. 10, 75–81.

    Google Scholar 

  • Motherwell, W. D., and Clegg, W. (1978).PLUTO-78 Program for drawing molecular and crystal structures (University of Cambridge, England).

    Google Scholar 

  • Sheldrick, G. M. (1976).SHELX-76, Program for crystal structure determination (Univ. of Cambridge, England).

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Department of Chemistry, Adam Mickiewicz University, Grunwaldzka 6, 60-780, Poznań, Poland

    A. Katrusiak & Z. Kałuski

Authors
  1. A. Katrusiak
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Z. Kałuski
    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

Katrusiak, A., Kałuski, Z. Crystal and molecular structure of 17-β-methyl-α-isolupanineN-(16)-oxide perchlorate monohydrate. Journal of Crystallographic and Spectroscopic Research 19, 193–201 (1989). https://doi.org/10.1007/BF01160856

Download citation

  • Received:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF01160856

Keywords

Search

Navigation