Synthesis, molecular docking of 3-(2-chloroethyl)-2,6-diphenylpiperidin-4-one: Hirshfeld surface, spectroscopic and DFT based analyses
Anitha Kumar, Sivakumar Sambandam, Arulraj Ramalingam, Rajkumar Krishnamoorthy, A. Dhandapani, Oluwatoba Emmanuel Oyeneyin
Topics & Concepts
ChemistryNatural bond orbitalDensity functional theoryCrystallographyHydrogen bondDocking (animal)Intermolecular forceMoleculeDelocalized electronComputational chemistryHyperconjugationOrganic chemistryMedicineNursingNonlinear Optical Materials ResearchCrystallography and molecular interactionsCrystal structures of chemical compounds