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Crystal structure of iso-butyl-ammonium hydrogen oxalate hemihydrate.

ABSTRACT: In the title hydrated mol-ecular salt, C4H12N(+)·C2HO4 (-)·0.5H2O, the O atom of the water mol-ecule lies on a crystallographic twofold axis. The dihedral angle between the CO2 and 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 mol-ecules are located between the chains of anions and iso-butyl-amine 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].

SUBMITTER: Dziuk B

PROVIDER: S-EPMC4257255 | biostudies-literature | 2014 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of iso-butyl-ammonium hydrogen oxalate hemihydrate.

Dziuk Błażej B Zarychta Bartosz B Ejsmont Krzysztof K

Acta crystallographica. Section E, Structure reports online 20141024 Pt 11

In the title hydrated mol-ecular salt, C4H12N(+)·C2HO4 (-)·0.5H2O, the O atom of the water mol-ecule lies on a crystallographic twofold axis. The dihedral angle between the CO2 and 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 mol-ecules are located between the chains of anions and iso-butyl-amine cations; their O atoms participate as donors and acceptors, respectively, in O-H⋯O and N-H⋯O hydro ...[more]

PMID: 25484814

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