Isopropyl­aminium 2-carb­oxy-4,5-di­chloro­benzoate

In the structure of the 1:1 proton-transfer compound of isopropyl­amine with 4,5-dichloro­phthalic acid, C(3)H(10)N(+)·C(8)H(3)Cl(2)O(4) (−), the three cation H-atom donors associate with three separate carboxyl O-atom anion acceptors, giving conjoint cyclic R (4) (4)(12), R (4) (4)(16) hydrogen-bon...

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Detalles Bibliográficos
Autores principales: Smith, Graham, Wermuth, Urs D.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2980220/
https://www.ncbi.nlm.nih.gov/pubmed/21580024
http://dx.doi.org/10.1107/S1600536809052672
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author Smith, Graham
Wermuth, Urs D.
author_facet Smith, Graham
Wermuth, Urs D.
author_sort Smith, Graham
collection PubMed
description In the structure of the 1:1 proton-transfer compound of isopropyl­amine with 4,5-dichloro­phthalic acid, C(3)H(10)N(+)·C(8)H(3)Cl(2)O(4) (−), the three cation H-atom donors associate with three separate carboxyl O-atom anion acceptors, giving conjoint cyclic R (4) (4)(12), R (4) (4)(16) hydrogen-bonding cation–anion inter­actions in a one-dimensional ribbon structure. In the anions, the carboxyl groups lie slightly out of the plane of the benzene ring [maximum deviations = 0.439 (1) for a carboxylic acid O atom and 0.433 (1) Å for a carboxyl­ate O atom]. However, the syn-related proton of the carboxylic acid group forms the common short intra­molecular O—H⋯O(carbox­yl) hydrogen bond.
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spelling pubmed-29802202010-12-30 Isopropyl­aminium 2-carb­oxy-4,5-di­chloro­benzoate Smith, Graham Wermuth, Urs D. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the structure of the 1:1 proton-transfer compound of isopropyl­amine with 4,5-dichloro­phthalic acid, C(3)H(10)N(+)·C(8)H(3)Cl(2)O(4) (−), the three cation H-atom donors associate with three separate carboxyl O-atom anion acceptors, giving conjoint cyclic R (4) (4)(12), R (4) (4)(16) hydrogen-bonding cation–anion inter­actions in a one-dimensional ribbon structure. In the anions, the carboxyl groups lie slightly out of the plane of the benzene ring [maximum deviations = 0.439 (1) for a carboxylic acid O atom and 0.433 (1) Å for a carboxyl­ate O atom]. However, the syn-related proton of the carboxylic acid group forms the common short intra­molecular O—H⋯O(carbox­yl) hydrogen bond. International Union of Crystallography 2009-12-12 /pmc/articles/PMC2980220/ /pubmed/21580024 http://dx.doi.org/10.1107/S1600536809052672 Text en © Smith and Wermuth 2010 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
Smith, Graham
Wermuth, Urs D.
Isopropyl­aminium 2-carb­oxy-4,5-di­chloro­benzoate
title Isopropyl­aminium 2-carb­oxy-4,5-di­chloro­benzoate
title_full Isopropyl­aminium 2-carb­oxy-4,5-di­chloro­benzoate
title_fullStr Isopropyl­aminium 2-carb­oxy-4,5-di­chloro­benzoate
title_full_unstemmed Isopropyl­aminium 2-carb­oxy-4,5-di­chloro­benzoate
title_short Isopropyl­aminium 2-carb­oxy-4,5-di­chloro­benzoate
title_sort isopropyl­aminium 2-carb­oxy-4,5-di­chloro­benzoate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2980220/
https://www.ncbi.nlm.nih.gov/pubmed/21580024
http://dx.doi.org/10.1107/S1600536809052672
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AT wermuthursd isopropylaminium2carboxy45dichlorobenzoate

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