Skip to main content

Polymeric lithium(I) diaquabarbiturate: Crystal structure

Abstract

The lithium(I) catena-diaquabarbiturate complex [Li(H2O)2(HBA–O,O′)] n (I), where Н2ВА is barbituric acid, has been structurally characterized by X-ray diffraction (CIF file CCDC no. 1447689), and its thermal decomposition and IR spectrum have been studied. Crystals of complex I are monoclinic, a = 6.4306(7) Å, b = 16.720(1) Å, c = 7.1732(8) Å, β = 108.253(4)°, V = 732.5(1) Å3, space group P21/c, and Z = 4. One independent μ2-bridging HBA ligand is coordinated to two Li(I) ions via the two oxygen atoms of C4(6)=O carbonyl groups. Each Li+ ion is linked with two μ2-HBA ions and two terminal water molecules at tetrahedron vertices. μ2-HBA ions link tetrahedra into a chain. The structure is stabilized by multiple hydrogen bonds and π–π-interaction between HBA. The shift of ν(C=O) vibration bands in the IR spectrum of complex I in comparison with Н2ВА towards lower frequencies agrees with the coordination of HBA via oxygen atoms. The dehydration of complex I occurs in two stages in the regions of 100–150 and 150–240°C.

This is a preview of subscription content, access via your institution.

References

  1. 1.

    K. M. Fromm, Coord. Chem. Rev. 252, 856 (2008).

    CAS  Article  Google Scholar 

  2. 2.

    A. R. Kennedy, J. B. A. Kirkhouse, and L. Whyte, Inorg. Chem. 45, 2965 (2006).

    CAS  Article  Google Scholar 

  3. 3.

    U. Olsher, R. M. Izatt, J. S. Bradshaw, and N. K. Dalley, Chem. Rev. 91, 137 (1991).

    CAS  Article  Google Scholar 

  4. 4.

    N. J. Birch, Chem. Rev. 99, 2659 (1999).

    CAS  Article  Google Scholar 

  5. 5.

    Y. Li, J. Yang, and J. Song, Renew. Sustain. En. Rev. 54, 1250 (2016).

    CAS  Article  Google Scholar 

  6. 6.

    Biological Inorganic Chemistry: Structure and Reactivity, Ed. by I. Bertini, H. B. Gray, E. I. Stiefel, and J. S. Valentine (Univ. Sci. Books, Mill Valley, CA, 2007), Vol. 1.

  7. 7.

    J. H. Block and J. M. Beale, Wilson and Gisvold’s Textbook of Organic Medicinal and Pharmaceutical Chemistry, 11th ed. (Lippincott Williams and Wilkins, Philadelphia, 2004).

    Google Scholar 

  8. 8.

    K. T. Mahmudov, M. N. Kopylovich, A. M. Maharramov, et al., Coord. Chem. Rev. 265, 1 (2014).

    CAS  Article  Google Scholar 

  9. 9.

    E. A. Wayner, G. Singer, M. Wayner, and F. Barone, Pharm. Biochem. Behav. 12, 803 (1980).

    CAS  Article  Google Scholar 

  10. 10.

    G. M. Sheldrick, SHELXTL. Version 6.10 (Bruker, Madison (WI, USA) 2004).

    Google Scholar 

  11. 11.

    Cambridge Structural Database. Version 5.36 (Univ. of Cambridge, Cambridge, 2004).

  12. 12.

    M. U. Schmidt, J. Bruning, J. Glinnemann, et al., Angew. Chem., Int. Ed. Engl. 50, 7924 (2011).

    CAS  Article  Google Scholar 

  13. 13.

    T. C. Lewis, D. A. Tocher, and S. L. Price, Cryst. Growth Des. 4, 979 (2004).

    CAS  Article  Google Scholar 

  14. 14.

    M. R. Chierotti, K. Gaglioti, R. Gobetto, et al., CrystEngComm 15, 7598 (2013).

    CAS  Article  Google Scholar 

  15. 15.

    M. Gryl and K. Stadnicka, Acta Crystallogr., Sect. E 67, m571 (2011).

    Article  Google Scholar 

  16. 16.

    D. Braga, F. Grepioni, G. I. Lampronti, et al., Cryst. Growth Des. 11, 5621 (2011).

    CAS  Article  Google Scholar 

  17. 17.

    D. Braga, F. Grepioni, L. Maini, et al., CrystEng-Comm. 14, 3521 (2012).

    CAS  Article  Google Scholar 

  18. 18.

    N. N. Golovnev and M. S. Molokeev, Acta Crystallogr., Sect. C 69, 704 (2013).

    CAS  Article  Google Scholar 

  19. 19.

    N. N. Golovnev, M. S. Molokeev, S. N. Vereshchagin, et al., Polyhedron 85, 493 (2015).

    CAS  Article  Google Scholar 

  20. 20.

    J. W. Steed and J. L. Atwood, Supramolecular Chemistry, 1st Ed. (CRC Press, 2004; IKTs Akademkniga).

    Google Scholar 

  21. 21.

    PLATON. A Multipurpose Crystallographic Tool (Utrecht Univ., Utrecht, 2008).

  22. 22.

    N. A. Smorygo and B. A. Ivin, Khim. Geterotsikl. Soedin. 10, 1402 (1975).

    Google Scholar 

  23. 23.

    M. V. Roux, M. Temprado, R. Notario, et al., J. Phys. Chem. A 112, 7455 (2008).

    CAS  Article  Google Scholar 

Download references

Author information

Affiliations

Authors

Corresponding author

Correspondence to N. N. Golovnev.

Additional information

Original Russian Text © N.N. Golovnev, M.S. Molokeev, M.K. Lesnikov, S.N. Vereshchagin, 2017, published in Zhurnal Neorganicheskoi Khimii, 2017, Vol. 62, No. 6, pp. 761–765.

Rights and permissions

Reprints and Permissions

About this article

Verify currency and authenticity via CrossMark

Cite this article

Golovnev, N.N., Molokeev, M.S., Lesnikov, M.K. et al. Polymeric lithium(I) diaquabarbiturate: Crystal structure. Russ. J. Inorg. Chem. 62, 746–750 (2017). https://doi.org/10.1134/S0036023617060092

Download citation