6533b82efe1ef96bd1293220

RESEARCH PRODUCT

Crystal structure of C-2-benzo-thia-zole-N-methyl-nitrone.

Roman Doroschuk

subject

chemistry.chemical_classificationnitronecrystal structureCrystallographyHydrogen bondS...O attractive interactionMaximum deviationbenzo­thia­zolebenzothiazoleGeneral ChemistryCrystal structureCondensed Matter PhysicsBioinformaticsData ReportsS⋯O attractive inter­actionNitroneCrystalchemistry.chemical_compoundCrystallographychemistryBenzothiazoleQD901-999General Materials Science

description

The molecule of the title compound {systematic name:N-[(benzothiazol-2-yl)methylidene]methylamineN-oxide}, C9H8N2OS, is close to planar [maximum deviation from the mean plane = 0.081 (2) Å], its conformation being stabilized by a strong intramolecular attractive S...O interaction [2.6977 (16) Å]. In the crystal, molecules are linked into centrosymmetric dimers by pairs of weak C—H...O hydrogen bonds.

10.1107/s2056989015013262https://pubmed.ncbi.nlm.nih.gov/26396806