Three novel hydrated salts of ethacridine: 2-fluorobenzoate dihydrate, 3-fluorobenzoate monohydrate and 4-fluorobenzoate monohydrate were synthesized and structurally characterized using single-crystal X-ray diffraction. Analysis of intermolecular interactions in the crystal packing revealed that the number of water molecules in the asymmetric unit determines the formation of distinct centrosymmetric supramolecular synthons: [⋯water⋯acid⋯]2 and [⋯water⋯water⋯acid⋯]2. Hirshfeld surface analysis and lattice energy calculations were exploited to characterize intermolecular interactions and to elucidate the influence of small stereochemical differences among the three fluorobenzoate isomers on the crystal packing of the obtained molecular complexes.
The role of the solvent molecule in the crystal packing arrangements of hydrated salts formed by ethacridine and fluorobenzoic acids
Lopresti, Mattia
Co-primo
2025-01-01
Abstract
Three novel hydrated salts of ethacridine: 2-fluorobenzoate dihydrate, 3-fluorobenzoate monohydrate and 4-fluorobenzoate monohydrate were synthesized and structurally characterized using single-crystal X-ray diffraction. Analysis of intermolecular interactions in the crystal packing revealed that the number of water molecules in the asymmetric unit determines the formation of distinct centrosymmetric supramolecular synthons: [⋯water⋯acid⋯]2 and [⋯water⋯water⋯acid⋯]2. Hirshfeld surface analysis and lattice energy calculations were exploited to characterize intermolecular interactions and to elucidate the influence of small stereochemical differences among the three fluorobenzoate isomers on the crystal packing of the obtained molecular complexes.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
