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3,4-Diamino­pyridinium 4-nitro­benzoate–4-nitro­benzoic acid (1/1)

In the title compound, C(5)H(8)N(3) (+)·C(7)H(4)NO(4) (−)·C(7)H(5)NO(4), the non-H atoms of the 3,4-diamino­pyridinium cation are coplanar, with a maximum deviation of 0.022 (1) Å. The carboxyl­ate and nitro groups of the 4-nitro­benzoate anion are twisted out of the attached ring planes by dihedral...

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Autores principales: Fun, Hoong-Kun, Balasubramani, Kasthuri
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977481/
https://www.ncbi.nlm.nih.gov/pubmed/21583579
http://dx.doi.org/10.1107/S1600536809027354
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author Fun, Hoong-Kun
Balasubramani, Kasthuri
author_facet Fun, Hoong-Kun
Balasubramani, Kasthuri
author_sort Fun, Hoong-Kun
collection PubMed
description In the title compound, C(5)H(8)N(3) (+)·C(7)H(4)NO(4) (−)·C(7)H(5)NO(4), the non-H atoms of the 3,4-diamino­pyridinium cation are coplanar, with a maximum deviation of 0.022 (1) Å. The carboxyl­ate and nitro groups of the 4-nitro­benzoate anion are twisted out of the attached ring planes by dihedral angles of 15.89 (8) and 10.20 (8)°, respectively. In the 4-nitro­benzoic acid mol­ecule, the carboxyl and nitro groups form dihedral angles of 18.25 (8) and 6.55 (8)°, respectively, with the benzene ring. In the crystal, the constituent units form two-dimensional networks parallel to (001) by O—H⋯O, N—-H⋯O and C—H⋯O hydrogen bonds. Weak π–π inter­actions involving inversion-related 4-nitro­benzoic acid mol­ecules [centroid–centroid distance = 3.7325 (8) Å] and inversion-related 4-nitro­benzoate mol­ecules [centroid–centroid distance = 3.7124 (8) Å] are also observed.
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spelling pubmed-29774812010-12-30 3,4-Diamino­pyridinium 4-nitro­benzoate–4-nitro­benzoic acid (1/1) Fun, Hoong-Kun Balasubramani, Kasthuri Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(5)H(8)N(3) (+)·C(7)H(4)NO(4) (−)·C(7)H(5)NO(4), the non-H atoms of the 3,4-diamino­pyridinium cation are coplanar, with a maximum deviation of 0.022 (1) Å. The carboxyl­ate and nitro groups of the 4-nitro­benzoate anion are twisted out of the attached ring planes by dihedral angles of 15.89 (8) and 10.20 (8)°, respectively. In the 4-nitro­benzoic acid mol­ecule, the carboxyl and nitro groups form dihedral angles of 18.25 (8) and 6.55 (8)°, respectively, with the benzene ring. In the crystal, the constituent units form two-dimensional networks parallel to (001) by O—H⋯O, N—-H⋯O and C—H⋯O hydrogen bonds. Weak π–π inter­actions involving inversion-related 4-nitro­benzoic acid mol­ecules [centroid–centroid distance = 3.7325 (8) Å] and inversion-related 4-nitro­benzoate mol­ecules [centroid–centroid distance = 3.7124 (8) Å] are also observed. International Union of Crystallography 2009-07-18 /pmc/articles/PMC2977481/ /pubmed/21583579 http://dx.doi.org/10.1107/S1600536809027354 Text en © Fun and Balasubramani 2009 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
Fun, Hoong-Kun
Balasubramani, Kasthuri
3,4-Diamino­pyridinium 4-nitro­benzoate–4-nitro­benzoic acid (1/1)
title 3,4-Diamino­pyridinium 4-nitro­benzoate–4-nitro­benzoic acid (1/1)
title_full 3,4-Diamino­pyridinium 4-nitro­benzoate–4-nitro­benzoic acid (1/1)
title_fullStr 3,4-Diamino­pyridinium 4-nitro­benzoate–4-nitro­benzoic acid (1/1)
title_full_unstemmed 3,4-Diamino­pyridinium 4-nitro­benzoate–4-nitro­benzoic acid (1/1)
title_short 3,4-Diamino­pyridinium 4-nitro­benzoate–4-nitro­benzoic acid (1/1)
title_sort 3,4-diamino­pyridinium 4-nitro­benzoate–4-nitro­benzoic acid (1/1)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977481/
https://www.ncbi.nlm.nih.gov/pubmed/21583579
http://dx.doi.org/10.1107/S1600536809027354
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