The polymeric title complex, poly[hexa-μ-aqua-diaquatetra-μ-cyanurato-tetralithium] [Li4(C3H2N3O3)4(H2O)7]
n
, synthesized at room temperature from an aqueous solution of lithium hydroxide and cyanuric chloride, crystallizes in the triclinic space group P\overline{1}. There are two distinct Li+ cations in the asymmetric unit, one of which, Li1, has distorted trigonal–bipyramidal geometry and is coordinated via oxygen to two cyanurate anions occupying equatorial positions, and three water molecules, two in the axial positions and the third in an equatorial position. One of the axial water ligands and the equatorial water ligand are involved in bridging to a crystallographically equivalent Li1 cation. A centre of inversion lies between the two Li1 cations and the Li1...Li1 distance is 3.037 (5) Å. The remaining axial water ligand bridges to the second Li cation, Li2, which is disordered over two crystallographic sites with approximately equal occupancy, and has an Li1...Li2 distance of 3.438 (7) Å. The terminal Li2 cation is coordinated to three water molecules and an oxygen atom from a cyanuric anion and has a distorted tetrahedral geometry. A three-dimensional network of intermolecular hydrogen bonds involving N—H...O, O—H...O and O—H...N interactions serves to hold the structure together, as confirmed by a Hirshfeld surface analysis. The title compound was further characterized using IR and UV–vis spectroscopy and TG–DTA analysis.
(1,3,5-triazinane-2,4,6-trione) 1,4-diazabicyclo[2.2.2]octane (TTDO) was prepared from 1,4-Diazabicyclo[2.2.2]octane (DABCO) and cyanuric acid (CA) by solvent evaporation method. The TTDO molecule crystallized in the centrosymmetric space group C2/c with a monoclinic crystal system. The structure has a salt bridge between N1(CA)-H1 and N4(DABCO)-H4. The DABCO comes in between two CA moieties linearly disposed on either side of the two nitrogen atoms of DABCO. On sidewise, the CA molecules extend H-bonding showing a supramolecular assembly. Hydrogen bonding as compelled by stereographic projection. The Hirshfeld surface analysis confirms that the crystal is formed by involving intermolecular interactions. FT-IR confirms the presence of N-H, C-H, C=O and CN stretching vibrations of the molecule. The photoluminescence spectra show intense peaks at 532 nm in the green region. TG-DTA analysis confirms that the molecule is stable up to 143°C and loses CA in the first stage and DABCO decomposes subsequently. Antibacterial activity shows that TTDO inhibits Gram-positive (Staphylococcus aureus) and Gram-negative (Salmonella typhi) bacteria.
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