Intermolecular interactions in antipyrine-like derivatives 2-halo-<i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)benzamides: X-ray structure, Hirshfeld surface analysis and DFT calculations
Aamer Saeed, Asma Khurshid, Ülrich Flörke, Gustavo A. Echeverría, Oscar E. Piro, Diego M. Gil, Mariana Rocha, Antonio Frontera, Hesham R. El‐Seedi, Amara Mumtaz, Mauricio F. Erben
Abstract
Based on experimental and computational data, a complex network of intermolecular interactions has been rationalized for antipyrine compounds.
Topics & Concepts
ChemistryIntermolecular forceHaloStereochemistryComputational chemistryMedicinal chemistryMoleculeOrganic chemistryPhysicsGalaxyQuantum mechanicsSynthesis of heterocyclic compoundsPhenothiazines and Benzothiazines Synthesis and ActivitiesSynthesis and Characterization of Heterocyclic Compounds