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Crystal structure of potassium 2-thiobarbiturate |
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| Authors: | N. N. Golovnev M. S. Molokeev M. Yu. Belash |
| Affiliation: | 13014. Siberian Federal University, Krasnoyarsk, Russia 23014. L. V. Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Krasnoyarsk, Russia 33014. Institute of Chemistry and Chemical Technology, Siberian Division, Russian Academy of Sciences, Krasnoyarsk, Russia |
| Abstract: | The crystal and molecular structure of potassium thiobarbiturate C4H3KN2O2S (C4H4N2O2S-2-thiobarbituric acid, H2TBA) is determined. Crystallographic data for KHTBA are as follows: a = 11.2317(17) Å, b = 3.8687(6) Å, c = 14.557(2) Å, β = 97.448(4)°, V = 627.18(17) Å3, space group P2/c, Z = 4. Each potassium ion is linked with four oxygen atoms and two S atoms forming a distorted octahedron. N-H…O and C-H…S hydrogen bonds form a branched three-dimensional network. The structure is also stabilized by the π-π interaction of heterocyclic HTBA? ions. |
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