Cargando…
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 ...
Autores principales: | , , , , |
---|---|
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 |
_version_ | 1782225934807465984 |
---|---|
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. |
format | Online Article Text |
id | pubmed-3297908 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT millancorralesguadalupe 23aminopyridinium1yl3carboxypropanoatemonohydrate AT moralesmoralesdavid 23aminopyridinium1yl3carboxypropanoatemonohydrate AT hernandezortegasimon 23aminopyridinium1yl3carboxypropanoatemonohydrate AT camposgaxiolajosej 23aminopyridinium1yl3carboxypropanoatemonohydrate AT cruzenriquezadriana 23aminopyridinium1yl3carboxypropanoatemonohydrate |