6533b871fe1ef96bd12d24b6

RESEARCH PRODUCT

Allylammonium hydrogen oxalate hemihydrate

Bartosz ZarychtaBłażej DziukKrzysztof Ejsmont

subject

chemistry.chemical_classificationQuantitative Biology::Biomoleculescrystal structureCrystallographyHydrogenHydrogen bondchemistry.chemical_elementSalt (chemistry)General ChemistryCrystal structureDihedral angleCondensed Matter PhysicsOrganic PapersOxalateIonCrystalCrystallographychemistry.chemical_compoundchemistryQD901-999General Materials SciencePhysics::Atomic PhysicsPhysics::Chemical Physics

description

In the title hydrated molecular salt, C3H8N+·C2HO4−·0.5H2O, the water O atom lies on a crystallographic twofold axis. The C=C—C—N torsion angle in the cation is 2.8 (3)° and the dihedral angle between the CO2and CO2H planes in the anion is 1.0 (4)°. In the crystal, the hydrogen oxalate ions are linked by O—H...O hydrogen bonds, generating [010] chains. The allylammonium cations bond to the chains through N—H...O and N—H...(O,O) hydrogen bonds. The water molecule accepts two N—H...O hydrogen bonds and makes two O—H...O hydrogen bonds. Together, the hydrogen bonds generate (100) sheets.

10.1107/s1600536814015190https://doi.org/10.1107/S1600536814015190