Synthesis, SC XRD Based Structure Elucidation, Supramolecular Assembly Exploration Via Hirshfeld Surface Analysis, Computational and QTAIM Study of Functionalized Anilide

The anilide compound named (Z)-4-(2-methoxy-4-nitrophenyl)amino)-4-oxobut-2-enoic acid (MAOA) has been synthesized by the chemical reaction of 2-methoxy-4-nitroaniline and maleic anhydride in ethyl acetate. was characterized elemental analysis, FT-IR UV-Vis spectroscopy, TGA/DSC technique. Furthermore, crystal structure analyzed single X-ray diffraction (SC XRD) supramolecular assembly MAOA terms non-covalent interactions explored Hirshfeld surface analysis. Void analysis inferred that is expected to have good mechanical properties. packing environment further investigated interaction energy between molecular pairs frameworks. Moreover, result gas-phase DFT study showed there an intramolecular N–H···O O–H···O hydrogen bond due distance D A being smaller than sum their van der Waals radii. QTAIM should also be CH···O with a strength 3.40 kcal/mol MAOA.