6533b86ffe1ef96bd12cdd8b

RESEARCH PRODUCT

Crystal structure of isobutylammonium hydrogen oxalate hemihydrate

Krzysztof EjsmontBartosz ZarychtaBłażej Dziuk

subject

chemistry.chemical_classificationcrystal structureCrystallographyChemistryHydrogen bondmaterials engineeringSalt (chemistry)isobutylammonium hydrogen oxalate hemihydrateGeneral ChemistryCrystal structureDihedral anglehydrated mol­ecular salthydrogen bondingCondensed Matter PhysicsData ReportsAmmonium hydrogen oxalate hemihydrateIonCrystalhydrated molecular saltCrystallographyQD901-999AtomGeneral Materials Scienceiso­butyl­ammonium hydrogen oxalate hemihydrate

description

In the title hydrated molecular salt, C4H12N+·C2HO4−·0.5H2O, the O atom of the water molecule lies on a crystallographic twofold axis. The dihedral angle between the CO2and CO2H planes of the anion is 18.47 (8)°. In the crystal, the anions are connected to each other by strong near-linear O—H...O hydrogen bonds. The water molecules are located between the chains of anions and isobutylamine cations; their O atoms participate as donors and acceptors, respectively, in O—H...O and N—H...O hydrogen bonds, which form channels (dimensions = 4.615 and 3.387 Å) arranged parallel to [010].

yearjournalcountryeditionlanguage
2014-10-24Acta Crystallographica Section E Structure Reports Online
https://doi.org/10.1107/s1600536814022697