Crystal, spectral characterization, molecular docking, Hirshfeld computational studies and 3D-energy framework analysis of a novel puckered compound (C14H15Cl O): 2-Chloro-3-phenyl-5,5-dimethylcyclohex-2-en-1-one
N.R. Sreenatha, A.S. Jeevan Chakravarthy, B. Suchithra, B.N. Lakshminarayana, S. Hariprasad, D.P. Ganesha
Topics & Concepts
ChemistryCrystallographySupramolecular chemistryLattice energyMonoclinic crystal systemIntermolecular forceCrystal structureNon-covalent interactionsDocking (animal)MoleculeDensity functional theoryHydrogen bondProton NMRStereochemistryComputational chemistryOrganic chemistryNursingMedicineCrystal structures of chemical compoundsCrystallography and molecular interactionsSynthesis and biological activity