Probing the hydrogen bond network in the crystal structure of a sulfonamide derivative: A quantum chemical approach
T.N. Lohith, M.K. Hema, C.S. Karthik, S. Sandeep, Jothi Ramalingam Rajabathar, Muthusamy Karnan, N.K. Lokanath, L. Mallesha, P. Mallu, M. A. Sridhar
Topics & Concepts
ChemistryNatural bond orbitalAtoms in moleculesCrystal structure predictionCrystallographyDensity functional theoryIntermolecular forceHydrogen bondMoleculeDelocalized electronCrystal structureMonoclinic crystal systemCrystal engineeringComputational chemistryCrystal (programming language)Electron localization functionElectronOrganic chemistryProgramming languageComputer scienceQuantum mechanicsPhysicsPhenothiazines and Benzothiazines Synthesis and ActivitiesCrystallography and molecular interactionsStructural and Chemical Analysis of Organic and Inorganic Compounds