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Allyl-ammonium hydrogen oxalate hemihydrate.

ABSTRACT: In the title hydrated mol-ecular 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 CO2 and 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 allyl-ammonium cations bond to the chains through N-H?O and N-H?(O,O) hydrogen bonds. The water mol-ecule accepts two N-H?O hydrogen bonds and makes two O-H?O hydrogen bonds. Together, the hydrogen bonds generate (100) sheets.

SUBMITTER: Dziuk B

PROVIDER: S-EPMC4158551 | biostudies-literature | 2014 Aug

REPOSITORIES: biostudies-literature

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Allyl-ammonium hydrogen oxalate hemihydrate.

Dziuk Błażej B Zarychta Bartosz B Ejsmont Krzysztof K

Acta crystallographica. Section E, Structure reports online 20140705 Pt 8

In the title hydrated mol-ecular 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 CO2 and 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 allyl-ammonium cations bond to the chains through N-H⋯O and N-H⋯(O,O) hydrogen bonds. The water mol-ecule accepts two N-H⋯O hydrogen bon ...[more]

PMID: 25249903

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