Synthesis, crystal structure, DFT calculations, Hirshfeld surface analysis and molecular docking studies of a new manganese complex
Ali Akram Derardja, Lynda Golea, Rim Benali-Cherif, Dominique Luneau, Zina Boutobba, Youcef Boumedjane, Hassina Harkat
Topics & Concepts
Supramolecular chemistryCrystallographyMonoclinic crystal systemHydrogen bondIntermolecular forceCrystal structureChemistryMulliken population analysisStackingSupramolecular assemblyHOMO/LUMOHydrazideComputational chemistryMoleculeDensity functional theoryOrganic chemistryCrystal structures of chemical compoundsMetal-Organic Frameworks: Synthesis and ApplicationsCrystallography and molecular interactions