6533b870fe1ef96bd12cf323
RESEARCH PRODUCT
Crystal structure of 3-mesityl-1-[(pyridin-2-yl)methyl]-3,4,5,6-tetrahydropyrimidin-1-ium bromide monohydrate
Pu MaoLiangru YangJinwei YuanYongmei XiaoQi Quosubject
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:QD1-999tetrahydropyrimidiniumdescription
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.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2015-04-01 | Acta Crystallographica Section E: Crystallographic Communications |