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2-(3-Amino­pyridinium-1-yl)-3-carb­oxy­propano­ate monohydrate

The title compound, C(9)H(10)N(2)O(4)·H(2)O, was obtained as a zwitterion derived from the nucleophilic attack of 3-amino­pyridine on the fumaric α,β-system. Within the molecule, the amino­pyridine moiety and the carboxyl­ate and carb­oxy­lic acid fragments form dihedral angles of 68.6 (2) and 62.8 ...

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Autores principales: Millán Corrales, Guadalupe, Morales-Morales, David, Hernández-Ortega, Simón, Campos-Gaxiola, José J., Cruz Enríquez, Adriana
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3297908/
https://www.ncbi.nlm.nih.gov/pubmed/22412711
http://dx.doi.org/10.1107/S1600536812006897
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author Millán Corrales, Guadalupe
Morales-Morales, David
Hernández-Ortega, Simón
Campos-Gaxiola, José J.
Cruz Enríquez, Adriana
author_facet Millán Corrales, Guadalupe
Morales-Morales, David
Hernández-Ortega, Simón
Campos-Gaxiola, José J.
Cruz Enríquez, Adriana
author_sort Millán Corrales, Guadalupe
collection PubMed
description The title compound, C(9)H(10)N(2)O(4)·H(2)O, was obtained as a zwitterion derived from the nucleophilic attack of 3-amino­pyridine on the fumaric α,β-system. Within the molecule, the amino­pyridine moiety and the carboxyl­ate and carb­oxy­lic acid fragments form dihedral angles of 68.6 (2) and 62.8 (2)°, respectively. The geometry adopted by the mol­ecule does not allow the formation of centrosymmetric dimeric hydrogen-bonded units; instead chains along the a axis are linked by COO—H⋯OOC motifs. These chains are inter­connected by N—H⋯O and O—H⋯O hydrogen bonds involving the carb­oxy­lic acid and carboxyl­ate units and the solvent water mol­ecules.
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spelling pubmed-32979082012-03-12 2-(3-Amino­pyridinium-1-yl)-3-carb­oxy­propano­ate monohydrate Millán Corrales, Guadalupe Morales-Morales, David Hernández-Ortega, Simón Campos-Gaxiola, José J. Cruz Enríquez, Adriana Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(9)H(10)N(2)O(4)·H(2)O, was obtained as a zwitterion derived from the nucleophilic attack of 3-amino­pyridine on the fumaric α,β-system. Within the molecule, the amino­pyridine moiety and the carboxyl­ate and carb­oxy­lic acid fragments form dihedral angles of 68.6 (2) and 62.8 (2)°, respectively. The geometry adopted by the mol­ecule does not allow the formation of centrosymmetric dimeric hydrogen-bonded units; instead chains along the a axis are linked by COO—H⋯OOC motifs. These chains are inter­connected by N—H⋯O and O—H⋯O hydrogen bonds involving the carb­oxy­lic acid and carboxyl­ate units and the solvent water mol­ecules. International Union of Crystallography 2012-02-24 /pmc/articles/PMC3297908/ /pubmed/22412711 http://dx.doi.org/10.1107/S1600536812006897 Text en © Millán Corrales 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
Millán Corrales, Guadalupe
Morales-Morales, David
Hernández-Ortega, Simón
Campos-Gaxiola, José J.
Cruz Enríquez, Adriana
2-(3-Amino­pyridinium-1-yl)-3-carb­oxy­propano­ate monohydrate
title 2-(3-Amino­pyridinium-1-yl)-3-carb­oxy­propano­ate monohydrate
title_full 2-(3-Amino­pyridinium-1-yl)-3-carb­oxy­propano­ate monohydrate
title_fullStr 2-(3-Amino­pyridinium-1-yl)-3-carb­oxy­propano­ate monohydrate
title_full_unstemmed 2-(3-Amino­pyridinium-1-yl)-3-carb­oxy­propano­ate monohydrate
title_short 2-(3-Amino­pyridinium-1-yl)-3-carb­oxy­propano­ate monohydrate
title_sort 2-(3-amino­pyridinium-1-yl)-3-carb­oxy­propano­ate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3297908/
https://www.ncbi.nlm.nih.gov/pubmed/22412711
http://dx.doi.org/10.1107/S1600536812006897
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