Crystal structure of 8-hydroxyquinolin-ium 2-carboxy-6-nitrobenzoate mono-hydrate

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

*Corresponding author for this work

Research output: Contribution to journalArticle

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Abstract

In the title hydrated salt, C9H8NO+·C8H4NO6-·H2O, the deprotonated carboxylate group is almost normal to its attached benzene ring [dihedral angle = 83.56 (8)°], whereas the protonated carboxylate group is close to parallel [dihedral angle = 24.56 (9)°]. In the crystal, the components are linked by N - H⋯O and O - H⋯O hydrogen bonds, generating [001] chains. The packing is consolidated by C - H⋯O and π-π [centroid-to-centroid distances = 3.6408 (9) and 3.6507 (9) Å] interactions, which result in a three-dimensional network.

Original languageEnglish
Pages (from-to)o261-o262
Number of pages2
JournalActa Crystallographica Section E: Structure Reports Online
Volume71
Issue number4
Early online date25 Mar 2015
DOIs
Publication statusPublished - 1 Apr 2015

Fingerprint

Nitrobenzoates
Oxyquinoline
Dihedral angle
Hydrates
hydrates
centroids
carboxylates
dihedral angle
Crystal structure
crystal structure
Benzene
Hydrogen bonds
Salts
benzene
hydrogen bonds
salts
Crystals
rings
crystals
interactions

Keywords

  • 2-carboxy-6-nitro-benzoate
  • 8-hydroxyquinolinium
  • Crystal structure
  • Hydrogen bonding
  • π-πinteractions

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Materials Science(all)
  • Chemistry(all)

Cite this

Crystal structure of 8-hydroxyquinolin-ium 2-carboxy-6-nitrobenzoate mono-hydrate. / Divya Bharathi, M.; Ahila, G.; Mohana, J.; Chakkaravarthi, G.; Anbalagan, G.; Harrison, W. T A (Editor).

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 71, No. 4, 01.04.2015, p. o261-o262.

Research output: Contribution to journalArticle

Divya Bharathi, M. ; Ahila, G. ; Mohana, J. ; Chakkaravarthi, G. ; Anbalagan, G. ; Harrison, W. T A (Editor). / Crystal structure of 8-hydroxyquinolin-ium 2-carboxy-6-nitrobenzoate mono-hydrate. In: Acta Crystallographica Section E: Structure Reports Online. 2015 ; Vol. 71, No. 4. pp. o261-o262.
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abstract = "In the title hydrated salt, C9H8NO+·C8H4NO6-·H2O, the deprotonated carboxylate group is almost normal to its attached benzene ring [dihedral angle = 83.56 (8)°], whereas the protonated carboxylate group is close to parallel [dihedral angle = 24.56 (9)°]. In the crystal, the components are linked by N - H⋯O and O - H⋯O hydrogen bonds, generating [001] chains. The packing is consolidated by C - H⋯O and π-π [centroid-to-centroid distances = 3.6408 (9) and 3.6507 (9) {\AA}] interactions, which result in a three-dimensional network.",
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T1 - Crystal structure of 8-hydroxyquinolin-ium 2-carboxy-6-nitrobenzoate mono-hydrate

AU - Divya Bharathi, M.

AU - Ahila, G.

AU - Mohana, J.

AU - Chakkaravarthi, G.

AU - Anbalagan, G.

A2 - Harrison, W. T A

N1 - The authors thank SAIF, IIT Madras for the data collection.

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N2 - In the title hydrated salt, C9H8NO+·C8H4NO6-·H2O, the deprotonated carboxylate group is almost normal to its attached benzene ring [dihedral angle = 83.56 (8)°], whereas the protonated carboxylate group is close to parallel [dihedral angle = 24.56 (9)°]. In the crystal, the components are linked by N - H⋯O and O - H⋯O hydrogen bonds, generating [001] chains. The packing is consolidated by C - H⋯O and π-π [centroid-to-centroid distances = 3.6408 (9) and 3.6507 (9) Å] interactions, which result in a three-dimensional network.

AB - In the title hydrated salt, C9H8NO+·C8H4NO6-·H2O, the deprotonated carboxylate group is almost normal to its attached benzene ring [dihedral angle = 83.56 (8)°], whereas the protonated carboxylate group is close to parallel [dihedral angle = 24.56 (9)°]. In the crystal, the components are linked by N - H⋯O and O - H⋯O hydrogen bonds, generating [001] chains. The packing is consolidated by C - H⋯O and π-π [centroid-to-centroid distances = 3.6408 (9) and 3.6507 (9) Å] interactions, which result in a three-dimensional network.

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KW - 8-hydroxyquinolinium

KW - Crystal structure

KW - Hydrogen bonding

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