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2-Amino-5-methylpyridinium 1H-pyrazole-3,5-dicarboxylate trihydrate
In the title compound, 2C(6)H(9)N(2) (+)·C(5)H(2)N(2)O(4) (2−)·3H(2)O, the 1H-pyrazole-3,5-dicarboxylate anion is close to planar [maximum deviation = 0.208 (1) Å]. The two distinct 2-amino-5-methylpyridinium cations are also almost planar, with maximum deviations of 0.018 (2) and 0.014 (2) Å. In...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3008987/ https://www.ncbi.nlm.nih.gov/pubmed/21589058 http://dx.doi.org/10.1107/S1600536810041644 |
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author | Shahani, Tara Fun, Hoong-Kun Hemamalini, Madhukar |
author_facet | Shahani, Tara Fun, Hoong-Kun Hemamalini, Madhukar |
author_sort | Shahani, Tara |
collection | PubMed |
description | In the title compound, 2C(6)H(9)N(2) (+)·C(5)H(2)N(2)O(4) (2−)·3H(2)O, the 1H-pyrazole-3,5-dicarboxylate anion is close to planar [maximum deviation = 0.208 (1) Å]. The two distinct 2-amino-5-methylpyridinium cations are also almost planar, with maximum deviations of 0.018 (2) and 0.014 (2) Å. In the crystal, pairs of intermolecular N—H⋯O and O—H⋯O hydrogen bonds connect neighbouring molecules into dimers, generating R (2) (2)(8) and R (2) (4)(8) ring motifs, respectively. Further intermolecular N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds link the molecules into a three-dimensional network. |
format | Text |
id | pubmed-3008987 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30089872010-12-30 2-Amino-5-methylpyridinium 1H-pyrazole-3,5-dicarboxylate trihydrate Shahani, Tara Fun, Hoong-Kun Hemamalini, Madhukar Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, 2C(6)H(9)N(2) (+)·C(5)H(2)N(2)O(4) (2−)·3H(2)O, the 1H-pyrazole-3,5-dicarboxylate anion is close to planar [maximum deviation = 0.208 (1) Å]. The two distinct 2-amino-5-methylpyridinium cations are also almost planar, with maximum deviations of 0.018 (2) and 0.014 (2) Å. In the crystal, pairs of intermolecular N—H⋯O and O—H⋯O hydrogen bonds connect neighbouring molecules into dimers, generating R (2) (2)(8) and R (2) (4)(8) ring motifs, respectively. Further intermolecular N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds link the molecules into a three-dimensional network. International Union of Crystallography 2010-10-20 /pmc/articles/PMC3008987/ /pubmed/21589058 http://dx.doi.org/10.1107/S1600536810041644 Text en © Shahani 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 Shahani, Tara Fun, Hoong-Kun Hemamalini, Madhukar 2-Amino-5-methylpyridinium 1H-pyrazole-3,5-dicarboxylate trihydrate |
title | 2-Amino-5-methylpyridinium 1H-pyrazole-3,5-dicarboxylate trihydrate |
title_full | 2-Amino-5-methylpyridinium 1H-pyrazole-3,5-dicarboxylate trihydrate |
title_fullStr | 2-Amino-5-methylpyridinium 1H-pyrazole-3,5-dicarboxylate trihydrate |
title_full_unstemmed | 2-Amino-5-methylpyridinium 1H-pyrazole-3,5-dicarboxylate trihydrate |
title_short | 2-Amino-5-methylpyridinium 1H-pyrazole-3,5-dicarboxylate trihydrate |
title_sort | 2-amino-5-methylpyridinium 1h-pyrazole-3,5-dicarboxylate trihydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3008987/ https://www.ncbi.nlm.nih.gov/pubmed/21589058 http://dx.doi.org/10.1107/S1600536810041644 |
work_keys_str_mv | AT shahanitara 2amino5methylpyridinium1hpyrazole35dicarboxylatetrihydrate AT funhoongkun 2amino5methylpyridinium1hpyrazole35dicarboxylatetrihydrate AT hemamalinimadhukar 2amino5methylpyridinium1hpyrazole35dicarboxylatetrihydrate |