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3-Cyanoanilinium hydrogen oxalate hemihydrate

Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 6 (June 2012)


organic compounds



pv2542 scheme

Acta Cryst. (2012). E68, o1678    [ doi:10.1107/S1600536812019824 ]

3-Cyanoanilinium hydrogen oxalate hemihydrate

X.-Y. Chen

Abstract: In the title hydrated molecular salt, C7H7N2+·C2HO4-·0.5H2O, contains a 3-cyanoanilinium cation, a hydrogen oxalate anion and half a water molecule in an asymmetric unit. The dihedral angle between the CO2(H) and CO2 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.

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