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3-Cyano-anilinium hydrogen oxalate hemihydrate.

Chen XY - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: 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.

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Affiliation: Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.

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.

No MeSH data available.


The crystal packing of the title compound viewing along the b-axis, showing the two-dimensional hydrogen-bonded network.
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Fap2: The crystal packing of the title compound viewing along the b-axis, showing the two-dimensional hydrogen-bonded network.


3-Cyano-anilinium hydrogen oxalate hemihydrate.

Chen XY - Acta Crystallogr Sect E Struct Rep Online (2012)

The crystal packing of the title compound viewing along the b-axis, showing the two-dimensional hydrogen-bonded network.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3379274&req=5

Fap2: The crystal packing of the title compound viewing along the b-axis, showing the two-dimensional hydrogen-bonded network.
Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

Affiliation: Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.

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.

No MeSH data available.