Crystal structure of quinolinium 2-carboxy-6-nitrobenzoate monohydrate

J. Mohana, M. Divya Bharathi, G. Ahila, G. Chakkaravarthi*, G. Anbalagan, W. T A Harrison (Editor)

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)
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In the anion of the title hydrated molecular 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 carboxy 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 interactions as well as aromatic π-π stacking [centroid-to-centroid distances: 3.7023 (8) & 3.6590 (9)Å] interactions, resulting in a three-dimensional network.

Original languageEnglish
Pages (from-to)o270-o271
Number of pages2
JournalActa Crystallographica Section E: Structure Reports Online
Issue number5
Early online date2 Apr 2015
Publication statusPublished - 1 May 2015


  • 2-carboxy-6-nitrobenzoate
  • Crystal structure
  • Hydrogen bonding
  • Molecular salt
  • Quinolinium
  • π-π stacking interactions


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