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2-Amino­pyridinium 2-meth­oxy­carbonyl-4,6-dinitro­phenolate

In the title mol­ecular salt, C(5)H(7)N(2) (+)·C(8)H(5)N(2)O(7) (−), the 2-amino­pyridinium cation is essentially planar, with a maximium deviation of 0.015 (1) Å, while the 2-meth­oxy­carbonyl-4,6-dinitro­phenolate anion is slightly twisted away from planarity, with a maximium deviation of 0.187 (1...

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Detalles Bibliográficos
Autores principales: Wu, Dong-Liang, Xiao, Zi-Jing
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254471/
https://www.ncbi.nlm.nih.gov/pubmed/22259412
http://dx.doi.org/10.1107/S160053681105286X
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author Wu, Dong-Liang
Xiao, Zi-Jing
author_facet Wu, Dong-Liang
Xiao, Zi-Jing
author_sort Wu, Dong-Liang
collection PubMed
description In the title mol­ecular salt, C(5)H(7)N(2) (+)·C(8)H(5)N(2)O(7) (−), the 2-amino­pyridinium cation is essentially planar, with a maximium deviation of 0.015 (1) Å, while the 2-meth­oxy­carbonyl-4,6-dinitro­phenolate anion is slightly twisted away from planarity, with a maximium deviation of 0.187 (1) Å. Deprotonation of the hy­droxy O atom was observed. The cation and anion are connected by four bifurcated N—H⋯(O,O) hydrogen bonds, forming a mol­ecular proton-transfer adduct. The dihedral angle between the pyridinium ring in the cation and the benzene ring in the anion is 3.65 (6)°. Every adduct connects to six neighboring adducts by N—H⋯O and C—H⋯O hydrogen bonds, yielding extended layers parallel to the bc plane. There is a weak π–π inter­action between the benzene rings of two neighboring anions; the inter­planar spacing and the centroid–centroid separation are 3.309 (1) and 3.69 (1) Å, respectively.
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spelling pubmed-32544712012-01-18 2-Amino­pyridinium 2-meth­oxy­carbonyl-4,6-dinitro­phenolate Wu, Dong-Liang Xiao, Zi-Jing Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecular salt, C(5)H(7)N(2) (+)·C(8)H(5)N(2)O(7) (−), the 2-amino­pyridinium cation is essentially planar, with a maximium deviation of 0.015 (1) Å, while the 2-meth­oxy­carbonyl-4,6-dinitro­phenolate anion is slightly twisted away from planarity, with a maximium deviation of 0.187 (1) Å. Deprotonation of the hy­droxy O atom was observed. The cation and anion are connected by four bifurcated N—H⋯(O,O) hydrogen bonds, forming a mol­ecular proton-transfer adduct. The dihedral angle between the pyridinium ring in the cation and the benzene ring in the anion is 3.65 (6)°. Every adduct connects to six neighboring adducts by N—H⋯O and C—H⋯O hydrogen bonds, yielding extended layers parallel to the bc plane. There is a weak π–π inter­action between the benzene rings of two neighboring anions; the inter­planar spacing and the centroid–centroid separation are 3.309 (1) and 3.69 (1) Å, respectively. International Union of Crystallography 2011-12-14 /pmc/articles/PMC3254471/ /pubmed/22259412 http://dx.doi.org/10.1107/S160053681105286X Text en © Wu and Xiao 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
Wu, Dong-Liang
Xiao, Zi-Jing
2-Amino­pyridinium 2-meth­oxy­carbonyl-4,6-dinitro­phenolate
title 2-Amino­pyridinium 2-meth­oxy­carbonyl-4,6-dinitro­phenolate
title_full 2-Amino­pyridinium 2-meth­oxy­carbonyl-4,6-dinitro­phenolate
title_fullStr 2-Amino­pyridinium 2-meth­oxy­carbonyl-4,6-dinitro­phenolate
title_full_unstemmed 2-Amino­pyridinium 2-meth­oxy­carbonyl-4,6-dinitro­phenolate
title_short 2-Amino­pyridinium 2-meth­oxy­carbonyl-4,6-dinitro­phenolate
title_sort 2-amino­pyridinium 2-meth­oxy­carbonyl-4,6-dinitro­phenolate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254471/
https://www.ncbi.nlm.nih.gov/pubmed/22259412
http://dx.doi.org/10.1107/S160053681105286X
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AT xiaozijing 2aminopyridinium2methoxycarbonyl46dinitrophenolate