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Crystal structure of catena-Bis(2-thiobarbiturato-O,S)diaquacadmium

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Abstract

The crystal structure of catena-bis(2-thiobarbiturato-O,S)diaquacadmium (C8H10CdN4O6S2) n (I), [Cd(H2O)2(HTBA)2] n (C4H4N2O2S is 2-thiobarbituric acid, H2TBA) has been determined. The crystals of compound I are triclinic, a = 6.9433(3) Å, b = 7.2257(3) Å, c = 7.4047(3) Å, α = 88.559(2)°, β = 75.346(2)°, γ = 111.687(1)°, V = 331.05(3) Å3, space group \(P\bar 1\), Z = 1. The Cd2+ ion is coordinated to the two oxygen atoms of water molecules and the two oxygen and two sulfur atoms of four HTBA− ions at the vertices of an octahedron. Octahedra are linked by bridging μ2-HTBA−-O,S ions into infinite chains. Intermolecular hydrogen bonds form infinite chains. The structure is also stabilized by the π-π interaction of HTBA− ions.

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Authors and Affiliations

  1. Siberian Federal University, Svobodnyi pr. 79, Krasnoyarsk, 660041, Russia

    N. N. Golovnev

  2. Kirenskii Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok 50/38, Krasnoyarsk, 660036, Russia

    M. S. Molokeev

Authors
  1. N. N. Golovnev
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  2. M. S. Molokeev
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Original Russian Text © N.N. Golovnev, M.S. Molokeev, 2013, published in Zhurnal Neorganicheskoi Khimii, 2013, Vol. 58, No. 10, pp. 1332–1335.

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Golovnev, N.N., Molokeev, M.S. Crystal structure of catena-Bis(2-thiobarbiturato-O,S)diaquacadmium. Russ. J. Inorg. Chem. 58, 1193–1196 (2013). https://doi.org/10.1134/S0036023613100094

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  • DOI: https://doi.org/10.1134/S0036023613100094

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