Structural Characterization and Thermal Properties of the Anti-malarial Drug: Lumefantrine

The anti-malarial lumefantrine was characterized in the solid as well as the solution state. The solid state analysis was carried out by single crystal X-ray diffraction (SCXRD), powder X-ray diffraction (PXRD), DSC, TG-DTG and ATR-IR. The single crystal structure of lumefantrine has been solved. The structure is stabilized via inter- as well as intra-C-H center dot center dot center dot Cl interactions, intra hydrogen bonding O-H center dot center dot center dot N interactions and C-H center dot center dot center dot O weak interactions. The Hirshfeld surface intermolecular interactions have been studied using the crystal structure. Solution structure analyses have been done by NMR, COSY/NOESY, HSQC and mass spectrometry. The thermal properties were studied by solid-state differential scanning calorimetry and thermogravimetric analysis of the drug under nitrogen as well as in air.