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N-[2-(5-bromo-2-chloro-pyrimidin-4-yl)thio)-4-methoxy-phenyl]-4-chlorobenzenesulfonamide: The existence of H-bond and halogen bond interactions assisted supramolecular architecture – A quantum chemical investigation

T.N. Lohith, M.K. Hema, C.S. Karthik, S. Sandeep, L. Mallesha, P. Mallu, R. Jothi Ramalingam, M. A. Sridhar, Muthusamy Karnan, N.K. Lokanath

2022Journal of Molecular Structure30 citationsDOI

Topics & Concepts

ChemistryNatural bond orbitalHalogen bondHydrogen bondNon-covalent interactionsTriclinic crystal systemSupramolecular chemistryCrystallographyHalogenAtoms in moleculesMoleculeLone pairComputational chemistryCrystal (programming language)Ab initioCrystal structureStereochemistryOrganic chemistryProgramming languageAlkylComputer scienceCrystallography and molecular interactionsCrystal structures of chemical compoundsCrystallization and Solubility Studies
N-[2-(5-bromo-2-chloro-pyrimidin-4-yl)thio)-4-methoxy-phenyl]-4-chlorobenzenesulfonamide: The existence of H-bond and halogen bond interactions assisted supramolecular architecture – A quantum chemical investigation | Litcius