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RESEARCH PRODUCT
Crystal structure of bis-(allyl-ammonium) oxalate.
Błażej DziukBartosz ZarychtaKrzysztof Ejsmontsubject
crystal structureoxalateallylammoniumHydrogen bondGeneral ChemistryCrystal structureAmmonium oxalateDihedral angleCondensed Matter PhysicsBioinformaticshydrogen bondingOxalateData ReportsDicationlcsh:Chemistrychemistry.chemical_compoundCrystallographydicationchemistrylcsh:QD1-999allylammoniumGeneral Materials Sciencedescription
The title salt, 2C3H8N+·C2O42−, crystallized with six independent allylammonium cations and three independent oxalate dianions in the asymmetric unit. One of the oxalate dianions is nearly planar [dihedral angle between CO2planes = 1.91 (19)°], while the other two are twisted with angles of 11.3 (3) and 26.09 (13)°. One cation has a synperiplanar (cis) conformation with an N—C—C—C torsion angle of 0.9 (3)°, whereas the five remaining cations are characterized bygauchearrangements, with the N—C—C—C torsion angles ranging from 115.9 (12) to 128.8 (3)°. One of the allylammonium cations is positionally disordered (fixed occupancy ratio = 0.45:0.55). In the crystal, the cations and anions are connected by a number of strong N—H...O and N—H...(O,O) hydrogen bonds, forming layers parallel to (001), with the vinyl groups protruding into the space between the layers.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2014-11-05 | Acta crystallographica. Section E, Structure reports online |