Crystal structure of potassium 2-thiobarbiturate
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- Golovnev, N.N., Molokeev, M.S. & Belash, M.Y. J Struct Chem (2013) 54: 566. doi:10.1134/S0022476613030141
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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.