2-Amino-4-methyl­pyridinium 6-carb­oxy­pyridine-2-carboxyl­ate sesquihydrate

In the title compound, C(6)H(9)N(2) (+)·C(7)H(4)NO(4) (−)·1.5H(2)O, extensive O—H⋯O, O—H⋯N, N—H⋯O and C—H⋯O hydrogen bonds, as well as ion pairing, π–π stacking inter­actions [centroid–centroid distances = 3.4690 (8) and 3.6932 (8) Å between aromatic rings] occur in the crystal. There are hydrogen-b...

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Autores principales: Sharif, Mahboubeh A., Tabatabaee, Masoumeh, Adinehloo, Mahnaz, Aghabozorg, Hossein
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011762/
https://www.ncbi.nlm.nih.gov/pubmed/21589522
http://dx.doi.org/10.1107/S1600536810046866
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author Sharif, Mahboubeh A.
Tabatabaee, Masoumeh
Adinehloo, Mahnaz
Aghabozorg, Hossein
author_facet Sharif, Mahboubeh A.
Tabatabaee, Masoumeh
Adinehloo, Mahnaz
Aghabozorg, Hossein
author_sort Sharif, Mahboubeh A.
collection PubMed
description In the title compound, C(6)H(9)N(2) (+)·C(7)H(4)NO(4) (−)·1.5H(2)O, extensive O—H⋯O, O—H⋯N, N—H⋯O and C—H⋯O hydrogen bonds, as well as ion pairing, π–π stacking inter­actions [centroid–centroid distances = 3.4690 (8) and 3.6932 (8) Å between aromatic rings] occur in the crystal. There are hydrogen-bonding inter­actions between water mol­ecules, which result in cyclic tetra­meric water clusters. One of the water O molecules has half occupancy. In the anion molecules, the –CO(2) and –CO(2)H groups make torsion angles of 1.73 (18) and −12.14 (18)° with respect to the ring.
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spelling pubmed-30117622010-12-30 2-Amino-4-methyl­pyridinium 6-carb­oxy­pyridine-2-carboxyl­ate sesquihydrate Sharif, Mahboubeh A. Tabatabaee, Masoumeh Adinehloo, Mahnaz Aghabozorg, Hossein Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(6)H(9)N(2) (+)·C(7)H(4)NO(4) (−)·1.5H(2)O, extensive O—H⋯O, O—H⋯N, N—H⋯O and C—H⋯O hydrogen bonds, as well as ion pairing, π–π stacking inter­actions [centroid–centroid distances = 3.4690 (8) and 3.6932 (8) Å between aromatic rings] occur in the crystal. There are hydrogen-bonding inter­actions between water mol­ecules, which result in cyclic tetra­meric water clusters. One of the water O molecules has half occupancy. In the anion molecules, the –CO(2) and –CO(2)H groups make torsion angles of 1.73 (18) and −12.14 (18)° with respect to the ring. International Union of Crystallography 2010-11-20 /pmc/articles/PMC3011762/ /pubmed/21589522 http://dx.doi.org/10.1107/S1600536810046866 Text en © Sharif et al. 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
Sharif, Mahboubeh A.
Tabatabaee, Masoumeh
Adinehloo, Mahnaz
Aghabozorg, Hossein
2-Amino-4-methyl­pyridinium 6-carb­oxy­pyridine-2-carboxyl­ate sesquihydrate
title 2-Amino-4-methyl­pyridinium 6-carb­oxy­pyridine-2-carboxyl­ate sesquihydrate
title_full 2-Amino-4-methyl­pyridinium 6-carb­oxy­pyridine-2-carboxyl­ate sesquihydrate
title_fullStr 2-Amino-4-methyl­pyridinium 6-carb­oxy­pyridine-2-carboxyl­ate sesquihydrate
title_full_unstemmed 2-Amino-4-methyl­pyridinium 6-carb­oxy­pyridine-2-carboxyl­ate sesquihydrate
title_short 2-Amino-4-methyl­pyridinium 6-carb­oxy­pyridine-2-carboxyl­ate sesquihydrate
title_sort 2-amino-4-methyl­pyridinium 6-carb­oxy­pyridine-2-carboxyl­ate sesquihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011762/
https://www.ncbi.nlm.nih.gov/pubmed/21589522
http://dx.doi.org/10.1107/S1600536810046866
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AT adinehloomahnaz 2amino4methylpyridinium6carboxypyridine2carboxylatesesquihydrate
AT aghabozorghossein 2amino4methylpyridinium6carboxypyridine2carboxylatesesquihydrate

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