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Crystal structure of 3-mesityl-1-[(pyridin-2-yl)methyl]-3,4,5,6-tetrahydropyrimidin-1-ium bromide monohydrate

2015

In the title hydrated salt, C19H24N3+·Br−·H2O, the values of the N—C bond lengths within the tetrahydropyrimidinium ring indicate delocalization of the N=C double bond. In the cation, the dihedral angle formed by the pyridine and benzene rings is 14.97 (12)°. In the crystal, ions and water molecules are linked by O—H...Br, O—H...N, C—H...Br and C—H...O hydrogen bonds into chains running parallel to thebaxis.

crystal structureDouble bondCrystal structureDihedral angleBioinformaticsRing (chemistry)lcsh:Chemistrychemistry.chemical_compoundBromidePyridineGeneral Materials SciencePhysics::Chemical Physicstetrahydropyrimidiniumchemistry.chemical_classificationQuantitative Biology::BiomoleculesChemistryHydrogen bondGeneral ChemistryCondensed Matter Physicshydrogen bondingData ReportsBond lengthCrystallographyNHC precursorlcsh:QD1-999tetra­hydro­pyrimidiniumActa Crystallographica Section E: Crystallographic Communications
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