Synthesis, crystal structure, Hirshfeld surface, DFT and docking studies of 4-[(5‑hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)(phenyl)methyl]-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
R. Ramachandran, S. Senthan, Jayanthi Sampathkumar
Topics & Concepts
ChemistryNatural bond orbitalHydrogen bondIntermolecular forceCrystal structureDensity functional theoryCarbon-13 NMRSingle crystalProton NMRDocking (animal)Reactivity (psychology)PhenylhydrazineCrystallographyStereochemistryComputational chemistryMoleculeMedicinal chemistryOrganic chemistryMedicineAlternative medicineNursingPathologySynthesis and biological activitySynthesis and Characterization of Heterocyclic CompoundsNonlinear Optical Materials Research