Crystal structure of 8-hy­droxy­quinolin­ium 2-carboxy-6-nitro­benzoate mono­hydrate

In the title hydrated salt, C(9)H(8)NO(+)·C(8)H(4)NO(6) (−)·H(2)O, 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 compon...

Descripción completa

Detalles Bibliográficos
Autores principales: Divya Bharathi, M., Ahila, G., Mohana, J., Chakkaravarthi, G., Anbalagan, G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4438817/
https://www.ncbi.nlm.nih.gov/pubmed/26029446
http://dx.doi.org/10.1107/S205698901500571X
_version_ 1782372395665850368
author Divya Bharathi, M.
Ahila, G.
Mohana, J.
Chakkaravarthi, G.
Anbalagan, G.
author_facet Divya Bharathi, M.
Ahila, G.
Mohana, J.
Chakkaravarthi, G.
Anbalagan, G.
author_sort Divya Bharathi, M.
collection PubMed
description In the title hydrated salt, C(9)H(8)NO(+)·C(8)H(4)NO(6) (−)·H(2)O, 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.
format Online
Article
Text
id pubmed-4438817
institution National Center for Biotechnology Information
language English
publishDate 2015
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-44388172015-05-30 Crystal structure of 8-hy­droxy­quinolin­ium 2-carboxy-6-nitro­benzoate mono­hydrate Divya Bharathi, M. Ahila, G. Mohana, J. Chakkaravarthi, G. Anbalagan, G. Acta Crystallogr E Crystallogr Commun Data Reports In the title hydrated salt, C(9)H(8)NO(+)·C(8)H(4)NO(6) (−)·H(2)O, 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. International Union of Crystallography 2015-03-25 /pmc/articles/PMC4438817/ /pubmed/26029446 http://dx.doi.org/10.1107/S205698901500571X Text en © Bharathi et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Divya Bharathi, M.
Ahila, G.
Mohana, J.
Chakkaravarthi, G.
Anbalagan, G.
Crystal structure of 8-hy­droxy­quinolin­ium 2-carboxy-6-nitro­benzoate mono­hydrate
title Crystal structure of 8-hy­droxy­quinolin­ium 2-carboxy-6-nitro­benzoate mono­hydrate
title_full Crystal structure of 8-hy­droxy­quinolin­ium 2-carboxy-6-nitro­benzoate mono­hydrate
title_fullStr Crystal structure of 8-hy­droxy­quinolin­ium 2-carboxy-6-nitro­benzoate mono­hydrate
title_full_unstemmed Crystal structure of 8-hy­droxy­quinolin­ium 2-carboxy-6-nitro­benzoate mono­hydrate
title_short Crystal structure of 8-hy­droxy­quinolin­ium 2-carboxy-6-nitro­benzoate mono­hydrate
title_sort crystal structure of 8-hy­droxy­quinolin­ium 2-carboxy-6-nitro­benzoate mono­hydrate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4438817/
https://www.ncbi.nlm.nih.gov/pubmed/26029446
http://dx.doi.org/10.1107/S205698901500571X
work_keys_str_mv AT divyabharathim crystalstructureof8hydroxyquinolinium2carboxy6nitrobenzoatemonohydrate
AT ahilag crystalstructureof8hydroxyquinolinium2carboxy6nitrobenzoatemonohydrate
AT mohanaj crystalstructureof8hydroxyquinolinium2carboxy6nitrobenzoatemonohydrate
AT chakkaravarthig crystalstructureof8hydroxyquinolinium2carboxy6nitrobenzoatemonohydrate
AT anbalagang crystalstructureof8hydroxyquinolinium2carboxy6nitrobenzoatemonohydrate

Ejemplares similares