Structural and Spectral Studies of Bis (1, 3, 5-triazinane-2, 4, 6-trione) 1, 4-diazabicyclo [2·2·2] Octane (TTDO)

Bis (1, 3, 5-triazinane-2, 4, 6-trione) 1, 4-diazabicyclo [2.2.2] octane (TTDO) an adduct or co-crystallization product 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 an interaction between N(CA)-H and DABCO-N. 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 shows extended H-bonding showing a supramolecular assembly as compelled by the disposition of the groups. The Hirshfeld surface analyses showed the extent of intermolecular interactions in the adduct molecule. The FT-IR confirmed the presence of N–H, C–H, C = O and CN stretching vibrations of the molecule. The photoluminescence spectra showed an intense peak at 532 nm in the green region. TG-DTA analyses showed that the molecule is stable up to 143 °C and loses CA in the first stage and DABCO decomposes subsequently. TTDO inhibits Gram-positive ( Staphylococcus aureus ) and Gram-negative ( Salmonella typhi ) bacteria. Graphical Abstract