A potent anesthetic drug salt: experimental and computational studies
نویسندگان
چکیده
The title compound Ethyl 4-aminobenzoate – 3,5-dinitrosalicylate salt [ES] has been synthesized, crystallized and characterized using FTIR, 1H NMR, 13C NMR confirmed by single crystal X-ray diffraction method. molecular structure packing were carried out theoretical optimization at the DFT level concept of atom in molecules (AIM) analysis was performed. Further, is visualized quantified Hirshfeld surfaces analysis. stabilized via intermolecular hydrogen bonds type N H …O O …O. bonding acquires three-dimensional architecture are connected through C(8) motif. inter contact H...O (45.0%) contributes more to strength stability multicomponent have estimated energy framework calculation. biological study studied antibacterial antifungal activities.
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ژورنال
عنوان ژورنال: Journal of Molecular Structure
سال: 2022
ISSN: ['0022-2860', '1872-8014']
DOI: https://doi.org/10.1016/j.molstruc.2022.133049