Acta Cryst. (2013). C69, 704-708 [ doi:10.1107/S0108270113014078 ]
Abstract: The structures of the LiI and NaI salts of 2-thiobarbituric acid (2-sulfanylidene-1-3-diazinane-4,6-dione, H2TBA) have been studied. -Aqua-octaaquabis(-2-thiobarbiturato-2O:O')bis(2-thiobarbiturato-O)tetralithium(I) dihydrate, [Li4(C4H3N2O2S)4(H2O)9]·2H2O, (I), crystallizes with four symmetry-independent four-coordinated LiI cations and four independent HTBA- anions. The structure contains two structurally non-equivalent LiI cations and two non-equivalent HTBA- anions (bridging and terminal). Eight of the coordinated water ligands are terminal and the ninth acts as a bridge between LiI cations. Discrete [Li4(HTBA)4(H2O)9]·2H2O complexes form two-dimensional layers. Neighbouring layers are connected via hydrogen-bonding interactions, resulting in a three-dimensional network. Poly[2-aqua-tetraaqua(4-2-thiobarbiturato-4O:O:S:S)(2-thiobarbiturato-2O:S)disodium(I)], [Na2(C4H3N2O2S)2(H2O)5]n, (II), crystallizes with six-coordinated NaI cations. The octahedra are pairwise connected through edge-sharing by a water O atom and an O atom from the 4-HTBA- ligand, and these pairs are further top-shared by the S atoms to form continuous chains along the a direction. Two independent HTBA- ligands integrate the chains to give a three-dimensional network.
Formula: [Li4(C4H3N2O2S)4(H2O)9]·2H2O and [Na2(C4H3N2O2S)2(H2O)5]
Structure factor file (CIF format) (448.7 kbytes)
Structure factor file (CIF format) (215.8 kbytes)
To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.
The download button will force most browsers to prompt for a file name to store the data on your hard disk.
Where possible, images are represented by thumbnails.
Copyright © International Union of Crystallography