Aromatic interactions with heterocycles in water
Gloria Tobajas-Curiel, Qingqing Sun, Jeremy K. M. Sanders, Pablo Ballester, Christopher A. Hunter
Abstract
Measurements using chemical double mutant cycles show that non-covalent interactions between heterocyclic and aromatic rings are more favourable in water than chloroform, provided polar sites are solvated by H-bonded water molecules in the complex.
Topics & Concepts
AromaticityChemistrySupramolecular chemistryPyridinePyrroleStackingThiophenePyridazineInteraction energyHeteroatomCrystallographyLone pairNon-covalent interactionsAcceptorChloroformRing (chemistry)ThiazoleStereochemistryHydrogen bondMoleculeOrganic chemistryCrystal structurePhysicsCondensed matter physicsCrystallography and molecular interactionsMolecular Sensors and Ion DetectionSupramolecular Chemistry and Complexes