Abstract
The one-pot fashion of three multi-component reaction provides the desired hydroacridinone-based hydrazino-s-triazine scaffold 4. Compound 4 was crystallized in an orthorhombic crystal system and Pbca space group with a = 11.6271(2) angstrom, b = 18.2018(4) angstrom, c = 32.4721(6) angstrom, and alpha = beta = gamma = 90 degrees with one formula unit per asymmetric unit and eight molecules per unit cell. Additionally, structural features, Hirshfeld surfaces, and DFT studies were also investigated. Its packing in the crystal is controlled by H horizontal ellipsis H (63.4%), O horizontal ellipsis H (12.7%), Cl horizontal ellipsis H (7.2%), N horizontal ellipsis H (4.7%), and C horizontal ellipsis H (10.2%) contacts, where the O horizontal ellipsis H and Cl horizontal ellipsis H contacts were found the strongest. In vitro urease inhibition evaluation showed that the hydroacridinone-based hydrazino-s-triazine is more active (IC50 = 17.9 +/- 0.47 mu M) than the standard acetohydroxamic acid (IC50 = 20.3 +/- 0.43 mu M).