Synthesis, structure elucidation, Hirshfeld surface analysis, energy frameworks and DFT studies of novel ethyl 2-(5-methyl-2-oxopyridin-N-yl)acetate (OPA)
K.M. Chandini, Fares Hezam Al-Ostoot, T.N. Lohith, Murad Q. A. Al‐Gunaid, Basheer M. Al-Maswari, M. A. Sridhar, Shaukath Ara Khanum
Topics & Concepts
ChemistryIntermolecular forceDensity functional theoryTriclinic crystal systemCrystallographyMoleculeHOMO/LUMOInteraction energyMolecular orbitalCrystal structureNon-covalent interactionsComputational chemistryHydrogen bondOrganic chemistrySynthesis and biological activityNonlinear Optical Materials ResearchMulticomponent Synthesis of Heterocycles