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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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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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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. |
format | Text |
id | pubmed-2977481 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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