Abstract
The structure of ionic cocrystals of piperidinium 2-thiobarbiturate with 2-thiobarbituric acid PipeH+(HTBA−)H2TBA (I) (H2TBA is 2-thiobarbituric acid, Pipe is piperidine) is determined. The asymmetric unit of I contains a H2TBA molecule in the form of thionemonocarbonyl tautomer, the HTBA–ion, and the PipeH+ piperidinium ion. The structure is stabilized by the intermolecular O–H•••O, N–H•••S, and N–H•••O hydrogen bonds (HBs) forming a three-dimensional framework. The results of single crystal XRD and IR spectroscopy indicate the formation of strong O–H•••O HB. The topological analysis of the HB network in I is performed.
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R. M. C. Dowson, D. C. Elliott, W. H. Elliott, and K. M. Jones, Data for Biochemical Research, Oxford University Press, USA (1989).
D. Braga, F. Grepioni, G. I. Lampronti, et al., Cryst. Growth Des., 11, 5621–5627 (2011).
M. R. Chierotti, K. Gaglioti, R. Gobetto, et al., CrystEngComm., 15, 7598–7605 (2013).
M. Gryl and K. Stadnicka, Acta Crystallogr., E67, m571/m572 (2011).
S. Misaki, S. Kashino, and M. Haisa, Bull. Chem. Soc. Jpn., 59, 1059–1065 (1986).
G. M. Sheldrick, Acta Crystallogr., A64, No. 1, 112–122 (2008).
K. Brandenburg and M. Berndt, DIAMOND–Visual Crystal Structure Information System, Crystal Impact, Bonn.
M. R. Chierotti, L. Ferrero, N. Garino, et al., Chem. Eur. J., 16, 4347–4358 (2010).
N. N. Golovnev, M. S. Molokeev, and M. Yu. Belash, J. Struct. Chem., 54, No. 3, 566–570 (2013).
N. N. Golovnev and M. S. Molokeev, J. Struct. Chem., 54, No. 5, 968–971 (2013).
N. N. Golovnev and M. S. Molokeev, Acta Crystallogr., C69, No. 7, 704–708 (2013).
N. N. Golovnev, M. S. Molokeev, S. N. Vereshchagin, and V. V. Atuchin, J. Coord. Chem., 66, No. 23, 4119–4130 (2013).
N. N. Golovnev, M. S. Molokeev, S. N. Vereshchagin, et al., Polyhedron, 70, No. 1, 71–76 (2014).
N. N. Golovnev and M. S. Molokeev, Russ. J. Inorg. Chem., 59, No. 2, 200–206 (2014).
N. N. Golovnev and M. S. Molokeev, Russ. J. Coord. Chem., 40, No. 9, 564–568 (2014).
N. N. Golovnev and M. S. Molokeev, J. Struct. Chem., 55, No. 5, 871–878 (2014).
N. N. Golovnev, M. S. Molokeev, S. N. Vereshchagin, and V. V. Atuchin, J. Coord. Chem., 68, No. 11, 1865–1877 (2015).
PLATON-A Multipurpose Crystallographic Tool, Utrecht University, Utrecht, Netherlands (2008).
P. Vishweshwar, A. Nangia, and V. M. Lynch, Chem. Commun., 179/180 (2001).
J. L. Atwood and J. W. Steed, Supramolecular Chemistry, VCH Verlag GmbH, Weinheim, Germany (2000).
V. A. Blatov, A. P. Shevchenko, and D. M. Proserpio, Cryst. Growth Des., 14, 3576–3586 (2014).
N. N. Golovnev, M. S. Molokeev, 2-Thiobarbituric Acid and Its Complexes with Metals: Synthesis, Structure, and Properties [in Russian], Sib. Feder. Univ., Krasnoyarsk (2014).
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Original Russian Text © 2016 N. N. Golovnev, M. S. Molokeev, I. V. Sterkhova, I. I. Golovneva.
Translated from Zhurnal Strukturnoi Khimii, Vol. 57, No. 6, pp. 1330-1333, July-August, 2016.
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Golovnev, N.N., Molokeev, M.S., Sterkhova, I.V. et al. Structure of ionic cocrystals piperidinium 2-thiobarbiturate–2-thiobarbituric acid. J Struct Chem 57, 1266–1269 (2016). https://doi.org/10.1134/S0022476616060287
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DOI: https://doi.org/10.1134/S0022476616060287