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4-(4-Pyridyl)pyridinium 3′,4,4′-tricarboxybiphenyl-3-carboxylate dihydrate
In the title compound, C(10)H(9)N(2) (+)·C(16)H(9)O(8) (−)·2H(2)O, both the cation and anion possess crystallographically imposed centres of symmetry, causing the nitrogen-bound H atom in the 4-(4-pyridyl)pyridinium cation and the acidic H atom of the carboxylate groups at the 3 and 3′ positions...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2980244/ https://www.ncbi.nlm.nih.gov/pubmed/21580169 http://dx.doi.org/10.1107/S1600536809050831 |
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author | Han, Lu Luo, Huan-Mian Meng, Qiu-Hui Luo, Yi-Fan Zeng, Rong-Hua |
author_facet | Han, Lu Luo, Huan-Mian Meng, Qiu-Hui Luo, Yi-Fan Zeng, Rong-Hua |
author_sort | Han, Lu |
collection | PubMed |
description | In the title compound, C(10)H(9)N(2) (+)·C(16)H(9)O(8) (−)·2H(2)O, both the cation and anion possess crystallographically imposed centres of symmetry, causing the nitrogen-bound H atom in the 4-(4-pyridyl)pyridinium cation and the acidic H atom of the carboxylate groups at the 3 and 3′ positions in the anion to be disordered over two positions with equal occupancies. In the crystal packing, the cations, anions and water molecules are connected by O—H⋯O, C—H⋯O and N—H⋯N hydrogen bonds, forming layers parallel to (2[Image: see text]0). These layer are further connected into a three-dimensional supramolecular network by O—H⋯O hydrogen bonds involving the water molecules as H-atom donors and by weak π–π stacking interactions between neighbouring benzene and pyridine rings, with centroid–centroid distances of 3.756 (5) Å. |
format | Text |
id | pubmed-2980244 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29802442010-12-30 4-(4-Pyridyl)pyridinium 3′,4,4′-tricarboxybiphenyl-3-carboxylate dihydrate Han, Lu Luo, Huan-Mian Meng, Qiu-Hui Luo, Yi-Fan Zeng, Rong-Hua Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(10)H(9)N(2) (+)·C(16)H(9)O(8) (−)·2H(2)O, both the cation and anion possess crystallographically imposed centres of symmetry, causing the nitrogen-bound H atom in the 4-(4-pyridyl)pyridinium cation and the acidic H atom of the carboxylate groups at the 3 and 3′ positions in the anion to be disordered over two positions with equal occupancies. In the crystal packing, the cations, anions and water molecules are connected by O—H⋯O, C—H⋯O and N—H⋯N hydrogen bonds, forming layers parallel to (2[Image: see text]0). These layer are further connected into a three-dimensional supramolecular network by O—H⋯O hydrogen bonds involving the water molecules as H-atom donors and by weak π–π stacking interactions between neighbouring benzene and pyridine rings, with centroid–centroid distances of 3.756 (5) Å. International Union of Crystallography 2009-12-09 /pmc/articles/PMC2980244/ /pubmed/21580169 http://dx.doi.org/10.1107/S1600536809050831 Text en © Han 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 Han, Lu Luo, Huan-Mian Meng, Qiu-Hui Luo, Yi-Fan Zeng, Rong-Hua 4-(4-Pyridyl)pyridinium 3′,4,4′-tricarboxybiphenyl-3-carboxylate dihydrate |
title | 4-(4-Pyridyl)pyridinium 3′,4,4′-tricarboxybiphenyl-3-carboxylate dihydrate |
title_full | 4-(4-Pyridyl)pyridinium 3′,4,4′-tricarboxybiphenyl-3-carboxylate dihydrate |
title_fullStr | 4-(4-Pyridyl)pyridinium 3′,4,4′-tricarboxybiphenyl-3-carboxylate dihydrate |
title_full_unstemmed | 4-(4-Pyridyl)pyridinium 3′,4,4′-tricarboxybiphenyl-3-carboxylate dihydrate |
title_short | 4-(4-Pyridyl)pyridinium 3′,4,4′-tricarboxybiphenyl-3-carboxylate dihydrate |
title_sort | 4-(4-pyridyl)pyridinium 3′,4,4′-tricarboxybiphenyl-3-carboxylate dihydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2980244/ https://www.ncbi.nlm.nih.gov/pubmed/21580169 http://dx.doi.org/10.1107/S1600536809050831 |
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