Synthesis, crystal structure, Hirshfeld surface analysis, DFT investigation, and molecular docking, of novel organic dithiocarbamates obtained from Baylis-Hillman adducts/alcohols at room temperature
Vishal Sharma, Vipin Kumar, Rashmi Singh, Priyanka Sonker, Priyanka Yadav, Mohammad Kashif, Archana Gaurav, Ashish Kumar Tewari
Topics & Concepts
ChemistryAdductCrystal structureIntermolecular forceDocking (animal)HOMO/LUMOLattice energyComputational chemistryActive siteSingle crystalCrystallographyStereochemistryMoleculeOrganic chemistryEnzymeMedicineNursingSynthesis and Characterization of Heterocyclic CompoundsSynthesis and biological activityOrganometallic Compounds Synthesis and Characterization