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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...

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Autores principales: Shahani, Tara, Fun, Hoong-Kun, Hemamalini, Madhukar
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
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.
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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
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AT hemamalinimadhukar 2amino5methylpyridinium1hpyrazole35dicarboxylatetrihydrate