3-Carb­oxy­quinolin-1-ium-2-carboxyl­ate monohydrate

The title compound, C(11)H(7)NO(4)·H(2)O, contains a 3-carb­oxy­quinolin-1-ium-2-carboxyl­ate (qda) zwitterion and one water mol­ecule. In the crystal, pairs of N—H⋯O hydrogen bonds link the mol­ecules into inversion dimers, and these dimers are further connected by O—H⋯O hydrogen bonds into a three...

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Detalles Bibliográficos
Autores principales: Wang, Xing, Liu, Chun-Bo, Yan, Yong-Sheng, Wang, Shen-Tang, Zhang, Qing
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3297889/
https://www.ncbi.nlm.nih.gov/pubmed/22412692
http://dx.doi.org/10.1107/S1600536812006988
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author Wang, Xing
Liu, Chun-Bo
Yan, Yong-Sheng
Wang, Shen-Tang
Zhang, Qing
author_facet Wang, Xing
Liu, Chun-Bo
Yan, Yong-Sheng
Wang, Shen-Tang
Zhang, Qing
author_sort Wang, Xing
collection PubMed
description The title compound, C(11)H(7)NO(4)·H(2)O, contains a 3-carb­oxy­quinolin-1-ium-2-carboxyl­ate (qda) zwitterion and one water mol­ecule. In the crystal, pairs of N—H⋯O hydrogen bonds link the mol­ecules into inversion dimers, and these dimers are further connected by O—H⋯O hydrogen bonds into a three-dimensional supra­molecular architecture. In addition, π–π inter­actions occur between pyridine and benzene rings from different qda ligands [centroid–centroid distance = 3.749 (1) Å] and the dihedral angles of the –CO(2)H and –CO(2) groups to the quinoline system are 8.47 (3) and 88.16 (6)°, respectively.
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spelling pubmed-32978892012-03-12 3-Carb­oxy­quinolin-1-ium-2-carboxyl­ate monohydrate Wang, Xing Liu, Chun-Bo Yan, Yong-Sheng Wang, Shen-Tang Zhang, Qing Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(11)H(7)NO(4)·H(2)O, contains a 3-carb­oxy­quinolin-1-ium-2-carboxyl­ate (qda) zwitterion and one water mol­ecule. In the crystal, pairs of N—H⋯O hydrogen bonds link the mol­ecules into inversion dimers, and these dimers are further connected by O—H⋯O hydrogen bonds into a three-dimensional supra­molecular architecture. In addition, π–π inter­actions occur between pyridine and benzene rings from different qda ligands [centroid–centroid distance = 3.749 (1) Å] and the dihedral angles of the –CO(2)H and –CO(2) groups to the quinoline system are 8.47 (3) and 88.16 (6)°, respectively. International Union of Crystallography 2012-02-24 /pmc/articles/PMC3297889/ /pubmed/22412692 http://dx.doi.org/10.1107/S1600536812006988 Text en © Wang et al. 2012 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 Organic Papers
Wang, Xing
Liu, Chun-Bo
Yan, Yong-Sheng
Wang, Shen-Tang
Zhang, Qing
3-Carb­oxy­quinolin-1-ium-2-carboxyl­ate monohydrate
title 3-Carb­oxy­quinolin-1-ium-2-carboxyl­ate monohydrate
title_full 3-Carb­oxy­quinolin-1-ium-2-carboxyl­ate monohydrate
title_fullStr 3-Carb­oxy­quinolin-1-ium-2-carboxyl­ate monohydrate
title_full_unstemmed 3-Carb­oxy­quinolin-1-ium-2-carboxyl­ate monohydrate
title_short 3-Carb­oxy­quinolin-1-ium-2-carboxyl­ate monohydrate
title_sort 3-carb­oxy­quinolin-1-ium-2-carboxyl­ate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3297889/
https://www.ncbi.nlm.nih.gov/pubmed/22412692
http://dx.doi.org/10.1107/S1600536812006988
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