Crystal structure of catena-Bis(2-thiobarbiturato-O,S)diaquacadmium |
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| Authors: | N N Golovnev M S Molokeev |
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| Institution: | 1. Siberian Federal University, Svobodnyi pr. 79, Krasnoyarsk, 660041, Russia
2. Kirenskii Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok 50/38, Krasnoyarsk, 660036, Russia
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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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