Crystal structure of quinolinium 2-carboxy-6-nitro-benzoate monohydrate.

Acta Crystallogr E Crystallogr Commun

Department of Physics, Presidency College, Chennai 600 005, India.

Published: May 2015

In the anion of the title hydrated mol-ecular salt, C9H8N(+)·C8H4NO6 (-)·H2O, the protonated carboxyl and nitro groups makes dihedral angles of 27.56 (5) and 6.86 (8)°, respectively, with the attached benzene ring, whereas the deprotonated carb-oxy group is almost orthogonal to it with a dihedral angle of 80.21 (1)°. In the crystal, the components are linked by O-H⋯O and N-H⋯O hydrogen bonds, generating [001] chains. The packing is consolidated by weak C-H⋯N and C-H⋯O inter-actions as well as aromatic π-π stacking [centroid-to-centroid distances: 3.7023 (8) & 3.6590 (9)Å] inter-actions, resulting in a three-dimensional network.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420104PMC
http://dx.doi.org/10.1107/S2056989015006052DOI Listing

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