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Synthesis, crystal structure, Hirshfeld surface, QTAIM, NCI-RDG, DFT and molecular docking studies of 4-(aryl)-1,4-dihydro-N,1-dimethyl-6-(methylthio)-3,5-dinitropyridin-2-amines

Jayanthi Sampathkumar, R. Ramachandran

2023Journal of Molecular Structure14 citationsDOI

Topics & Concepts

ChemistryIntramolecular forceMonoclinic crystal systemIntermolecular forceHydrogen bondTriclinic crystal systemCrystallographyMoleculeCrystal structureHOMO/LUMOvan der Waals forceMolecular orbitalStereochemistryComputational chemistryOrganic chemistrySynthesis and Characterization of Heterocyclic CompoundsSynthesis and biological activityComputational Drug Discovery Methods
Synthesis, crystal structure, Hirshfeld surface, QTAIM, NCI-RDG, DFT and molecular docking studies of 4-(aryl)-1,4-dihydro-N,1-dimethyl-6-(methylthio)-3,5-dinitropyridin-2-amines | Litcius