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Journal of Structural Chemistry

2013 year, number 5


N. N. Golovnev1, M. S. Molokeev2
1Siberian Federal University, Krasnoyarsk
2L. V. Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Krasnoyarsk
Keywords: catena-di(Ој2-2-thiobarbiturato-O,S)aqualead(II), crystal structure, hydrogen bonds, ПЂ–ПЂ interaction


The crystal structure of catena-di(μ2-2-thiobarbiturato-O,S)aqualead(II) C8H8N4O5S2Pb (C4H4N2O2S is 2-thiobarbituric acid, H2TBA) is determined. Crystallographic data for catena-[Pb(H2O)(μ2-HTBA-O,S)2] are as follows: a = 6.5972(1) Å, b = 9.8917(2) Å, c = 10.0893(2) Å, α = 106.702(1)°, β = 93.395(2)°, γ = 107.48(1)°, V = 593.82(2) Å3, space group P1, Z = 2. The Pb2+ ion is linked with six monodentate HTBA ligands through two O atoms and four S atoms and also connected with a water molecule. Additionally, there is a shortened Pb–S contact (3.622 Å), given which the complex polyhedron represents a distorted square antiprism. Hydrogen bonds N–H⋯O and O–H⋯O form a branched three-dimensional network. The structure is also stabilized by the π–π-interaction of heterocyclic HTBA ions.