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Supramolecular co-crystal of 4-dimethyl aminopyridine with Picric acid (4DMAP: PA): Synthesis, single crystal investigation, HF/DFT inspection, Hirshfeld surface and antifungal activity

Ruchika Sharma, Palthad Jayarama Srijana, Mulveer Singh, kamal kamal, B. Narayana, B.K. Sarojini, U. Likhitha, Saminathan Murugavel, Jayakumar Mohan Raj, Rajni Kant

2022Journal of Molecular Structure10 citationsDOI

Topics & Concepts

ChemistryPicric acidDensity functional theoryDimerIntermolecular forceCrystallographyMoleculeCrystal structureSingle crystalSupramolecular chemistryHOMO/LUMOHydrogen bondComputational chemistryStereochemistryOrganic chemistryCrystallography and molecular interactionsCrystal structures of chemical compoundsNonlinear Optical Materials Research
Supramolecular co-crystal of 4-dimethyl aminopyridine with Picric acid (4DMAP: PA): Synthesis, single crystal investigation, HF/DFT inspection, Hirshfeld surface and antifungal activity | Litcius