Integrated Experimental and Computational Investigation of a Pyridine Derivative Compound: X-ray, DFT, and Docking Studies
In this study, a pyridinone-based compound was structurally characterized and computationally analyzed using integrated experimental and theoretical methods. The single-crystal X-ray diffraction (SC-XRD) results confirmed that the molecule adopts a non-planar conformation stabilized by strong N–H···O hydrogen bonds and...