Skip to main content
SpringerLink
Log in

Molecular structure of a zwitter-ionic 2-piperidinyl-4-dinitromethyl-1,3,5-triazin×(1H, 5H)-6-one salt

  • Published:
Journal of Structural Chemistry Aims and scope Submit manuscript

Abstract

A zwitter-ionic salt 2-piperidinyl-4-dinitromethyl-1,3,5-triazin(1H,5H)-6-one is studied by the single crystal X-ray analysis. The crystals are monoclinic: a = 11.526(1) Å, b = 9.211(1) Å, c = 12.182(1) Å; β = 110.69(1)°, V = 1209.9(2) Å3, space group P21/n; Z = 4, ρcalc = 1.560 g/cm3. The transformation of the dinitromethyl fragment conformation, the conjugation of one of nitrogroups with the 1,3,5-triazine ring, and an intramolecular hydrogen bond are revealed. The 1,3,5-triazine cycle is strongly distorted due to lactam-lactim tautomerism.

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

  1. V. V. Bakharev, A. A. Gidaspov, E. V. Ekimova et al., Proceedings of the Internat. Scientific Techn. and Method. Conf. “Current Problems of Technical Chemistry" [in Russian], KGTU, Kazan (2004), pp. 273–278.

    Google Scholar 

  2. A. Altomare, G. Cascarano, C. Giacovazzo, and D. Viterbo, Acta Crystallogr. Sec. A, 47, 744 (1991).

    Article  Google Scholar 

  3. G. M. Sheldrick, SHELXL-97, Unuv. Göttingen, Germany (1997).

    Google Scholar 

  4. S. Mackay, C. J. Gilmore, C. Edwards, N. Stewart, and K. Shakland, MaXus, Computer Program for the Solution and Refinement of Crystal Structures, Nonius, Netherlands, MacScience, Japan and University of Glasgow (1999).

    Google Scholar 

  5. A. A. Khan, C. Wismach, P. G. Jones, and R. Streubel, Acta Crystallogr., E59, 1757/1758 (2003).

    Google Scholar 

  6. A. A. Gidaspov, V. V. Bakharev, and E. V. Kachanovskaya, Khim. Farm. Zh., 38, No. 8, 9–15 (2004).

    Google Scholar 

  7. G. C. Verschoor and E. Keulen, Acta Crystallogr., B27, 134–145 (1971).

    Google Scholar 

  8. B. S. Fedorov, M. A. Fadeev, A. A. Gidaspov et al., Khim. Geterotsikl. Soedin., No. 2, 259–266 (2005).

  9. S. S. Novikov, G. A. Shvekhgeimer, V. V. Sevost’yanova, and V. A. Shlyapochnikova, Chemistry of Aliphatic and Alicyclic Nitrocompounds [in Russian], Khimiya, Moscow (1974), pp. 328–332.

    Google Scholar 

  10. I. V. Tselinskii, I. V. Shugalei, and M. B. Shcherbinin, Physical Chemistry of Nitrocompounds [in Russian], LTI im. Lensoveta, Leningrad (1985), pp. 34–38.

    Google Scholar 

  11. N. V. Grigor’eva, N. V. Margolis, I. V. Tselinskii et al., Zh. Strukt. Khim., 12, No. 4, 739–741 (1971).

    CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Samara State Technical University, Samara

    V. V. Bakharev, A. A. Gidaspov & E. A. Kosareva

Authors
  1. V. V. Bakharev
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. A. A. Gidaspov
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. E. A. Kosareva
    View author publications

    You can also search for this author in PubMed Google Scholar

Additional information

Original Russian Text Copyright © 2007 by V. V. Bakharev, A. A. Gidaspov, and E. A. Kosareva

__________

Translated from Zhurnal Strukturnoi Khimii, Vol. 48, No.1, pp. 178–182, January–February, 2007.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Bakharev, V.V., Gidaspov, A.A. & Kosareva, E.A. Molecular structure of a zwitter-ionic 2-piperidinyl-4-dinitromethyl-1,3,5-triazin×(1H, 5H)-6-one salt. J Struct Chem 48, 181–185 (2007). https://doi.org/10.1007/s10947-007-0029-5

Download citation

  • Received:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s10947-007-0029-5

Keywords

Search

Navigation