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

doi:10.1107/S205698901500571X

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

Chemistry

Presidency College, Chennai
CPCL Polytechnic College

Research output: Contribution to journal › Article › peer-review

5 Citations (Scopus)

13 Downloads (Pure)

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 language	English
Pages (from-to)	o261-o262
Number of pages	2
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	71
Issue number	4
Early online date	25 Mar 2015
DOIs	https://doi.org/10.1107/S205698901500571X
Publication status	Published - 1 Apr 2015

Bibliographical note

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

Keywords

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

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10.1107/S205698901500571XLicence: CC BY

crystal structure of 8-hydroxyquinolinium 2-carboxy-6-nitrobenzoate monohydrate
© 2015 Bharathiet al. Licence: Creative Commons Attribution (CC-BY) https://creativecommons.org/licenses/by/4.0
Final published version, 362 KBLicence: CC BY

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@article{92668a598c1f42e08085315fa12a5f6c,

title = "Crystal structure of 8-hydroxyquinolin-ium 2-carboxy-6-nitrobenzoate mono-hydrate",

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.",

keywords = "2-carboxy-6-nitro-benzoate, 8-hydroxyquinolinium, Crystal structure, Hydrogen bonding, π-πinteractions",

author = "\{Divya Bharathi\}, M. and G. Ahila and J. Mohana and G. Chakkaravarthi and G. Anbalagan and Harrison, \{W. T A\}",

note = "The authors thank SAIF, IIT Madras for the data collection.",

year = "2015",

month = apr,

day = "1",

doi = "10.1107/S205698901500571X",

language = "English",

volume = "71",

pages = "o261--o262",

journal = "Acta Crystallographica Section E: Structure Reports Online",

issn = "1600-5368",

publisher = "International Union of Crystallography",

number = "4",

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TY - JOUR

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.

PY - 2015/4/1

Y1 - 2015/4/1

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.

KW - 2-carboxy-6-nitro-benzoate

KW - 8-hydroxyquinolinium

KW - Crystal structure

KW - Hydrogen bonding

KW - π-πinteractions

UR - https://www.scopus.com/pages/publications/84928109263

U2 - 10.1107/S205698901500571X

DO - 10.1107/S205698901500571X

M3 - Article

AN - SCOPUS:84928109263

SN - 1600-5368

VL - 71

SP - o261-o262

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 4

ER -

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

Abstract

Bibliographical note

Keywords

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