2-Carboxy­quinolinium–2,4,6-trinitro­benzene­sulfonate–quinolinium-2-carboxyl­ate (1/1/1)

The structure of the title adduct compound, C(10)H(8)NO(2) (+)·C(6)H(2)N(3)O(9)S(−)·C(10)H(7)NO(2), from the reaction of 2,4,6-trinitro­benzene­sulfonic acid (picrylsulfonic acid) with quinoline-2-carboxylic acid (quinaldic acid) in 2-propanol–water, has been determined at 130 (2) K. The cation and...

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Detalles Bibliográficos
Autores principales: Smith, Graham, Wermuth, Urs D., White, Jonathan M.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2007
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2915202/
https://www.ncbi.nlm.nih.gov/pubmed/21200697
http://dx.doi.org/10.1107/S1600536807062757
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author Smith, Graham
Wermuth, Urs D.
White, Jonathan M.
author_facet Smith, Graham
Wermuth, Urs D.
White, Jonathan M.
author_sort Smith, Graham
collection PubMed
description The structure of the title adduct compound, C(10)H(8)NO(2) (+)·C(6)H(2)N(3)O(9)S(−)·C(10)H(7)NO(2), from the reaction of 2,4,6-trinitro­benzene­sulfonic acid (picrylsulfonic acid) with quinoline-2-carboxylic acid (quinaldic acid) in 2-propanol–water, has been determined at 130 (2) K. The cation and the adduct species form a twisted cyclic hydrogen-bonded R (2) (2)(10) pseudo-dimer which is extended into a one-dimensional chain structure through short head-to-tail carboxylic acid O—H⋯O(carbox­yl) associations [O⋯O = 2.4711 (19) Å]. The picrylsulfonate anions are attached peripherally by single N—H⋯O(sulfonate) hydrogen bonds [N⋯O = 2.8643 (19) Å].
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spelling pubmed-29152022010-12-30 2-Carboxy­quinolinium–2,4,6-trinitro­benzene­sulfonate–quinolinium-2-carboxyl­ate (1/1/1) Smith, Graham Wermuth, Urs D. White, Jonathan M. Acta Crystallogr Sect E Struct Rep Online Organic Papers The structure of the title adduct compound, C(10)H(8)NO(2) (+)·C(6)H(2)N(3)O(9)S(−)·C(10)H(7)NO(2), from the reaction of 2,4,6-trinitro­benzene­sulfonic acid (picrylsulfonic acid) with quinoline-2-carboxylic acid (quinaldic acid) in 2-propanol–water, has been determined at 130 (2) K. The cation and the adduct species form a twisted cyclic hydrogen-bonded R (2) (2)(10) pseudo-dimer which is extended into a one-dimensional chain structure through short head-to-tail carboxylic acid O—H⋯O(carbox­yl) associations [O⋯O = 2.4711 (19) Å]. The picrylsulfonate anions are attached peripherally by single N—H⋯O(sulfonate) hydrogen bonds [N⋯O = 2.8643 (19) Å]. International Union of Crystallography 2007-12-06 /pmc/articles/PMC2915202/ /pubmed/21200697 http://dx.doi.org/10.1107/S1600536807062757 Text en © International Union of Crystallography 2008 http://journals.iucr.org/services/termsofuse.html This is an open-access article distributed under the terms described at http://journals.iucr.org/services/termsofuse.html.
spellingShingle Organic Papers
Smith, Graham
Wermuth, Urs D.
White, Jonathan M.
2-Carboxy­quinolinium–2,4,6-trinitro­benzene­sulfonate–quinolinium-2-carboxyl­ate (1/1/1)
title 2-Carboxy­quinolinium–2,4,6-trinitro­benzene­sulfonate–quinolinium-2-carboxyl­ate (1/1/1)
title_full 2-Carboxy­quinolinium–2,4,6-trinitro­benzene­sulfonate–quinolinium-2-carboxyl­ate (1/1/1)
title_fullStr 2-Carboxy­quinolinium–2,4,6-trinitro­benzene­sulfonate–quinolinium-2-carboxyl­ate (1/1/1)
title_full_unstemmed 2-Carboxy­quinolinium–2,4,6-trinitro­benzene­sulfonate–quinolinium-2-carboxyl­ate (1/1/1)
title_short 2-Carboxy­quinolinium–2,4,6-trinitro­benzene­sulfonate–quinolinium-2-carboxyl­ate (1/1/1)
title_sort 2-carboxy­quinolinium–2,4,6-trinitro­benzene­sulfonate–quinolinium-2-carboxyl­ate (1/1/1)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2915202/
https://www.ncbi.nlm.nih.gov/pubmed/21200697
http://dx.doi.org/10.1107/S1600536807062757
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AT wermuthursd 2carboxyquinolinium246trinitrobenzenesulfonatequinolinium2carboxylate111
AT whitejonathanm 2carboxyquinolinium246trinitrobenzenesulfonatequinolinium2carboxylate111

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