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3-Cyano-anilinium hydrogen oxalate hemihydrate.

ABSTRACT: In the title hydrated mol-ecular salt, C(7)H(7)N(2) (+)·C(2)HO(4) (-)·0.5H(2)O, contains a 3-cyano-anilinium cation, a hydrogen oxalate anion and half a water mol-ecule in an asymmetric unit. The dihedral angle between the CO(2)(H) and CO(2) planes of the hydrogen oxalate ion is 7.96?(1)°. In the crystal, the components are linked by N-H?O and O-H?O hydrogen bonds, forming a layer lying parallel to the ac plane.

SUBMITTER: Chen XY

PROVIDER: S-EPMC3379274 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

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3-Cyano-anilinium hydrogen oxalate hemihydrate.

Chen Xin-Yuan XY

Acta crystallographica. Section E, Structure reports online 20120512 Pt 6

In the title hydrated mol-ecular salt, C(7)H(7)N(2) (+)·C(2)HO(4) (-)·0.5H(2)O, contains a 3-cyano-anilinium cation, a hydrogen oxalate anion and half a water mol-ecule in an asymmetric unit. The dihedral angle between the CO(2)(H) and CO(2) planes of the hydrogen oxalate ion is 7.96 (1)°. In the crystal, the components are linked by N-H⋯O and O-H⋯O hydrogen bonds, forming a layer lying parallel to the ac plane. ...[more]

PMID: 22719472

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