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2-Amino-4-methylpyridinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate
In the crystal structure of the title salt, C(6)H(9)N(2) (+)·C(7)H(5)O(6)S(−)·H(2)O, the water molecule acts as an acceptor of bifurcated N—H⋯O hydrogen bonds from the pyridinium H atom and one H atom of the 2-amino group, forming an R (2) (1)(6) ring. The 3-carboxy-4-hydroxybenzenesulfonate an...
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007430/ https://www.ncbi.nlm.nih.gov/pubmed/21588389 http://dx.doi.org/10.1107/S1600536810028539 |
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author | Hemamalini, Madhukar Fun, Hoong-Kun |
author_facet | Hemamalini, Madhukar Fun, Hoong-Kun |
author_sort | Hemamalini, Madhukar |
collection | PubMed |
description | In the crystal structure of the title salt, C(6)H(9)N(2) (+)·C(7)H(5)O(6)S(−)·H(2)O, the water molecule acts as an acceptor of bifurcated N—H⋯O hydrogen bonds from the pyridinium H atom and one H atom of the 2-amino group, forming an R (2) (1)(6) ring. The 3-carboxy-4-hydroxybenzenesulfonate anions self-assemble via O—H⋯O hydrogen bonds, leading to supramolecular chains along the a axis. These chains and R (2) (1)(6) motifs are linked via O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds, forming a layer parallel to the ac plane. There is also an intramolecular O—H⋯O hydrogen bond in the 3-carboxy-4-hydroxybenzenesulfonate anion, generating an S(6) ring motif. |
format | Text |
id | pubmed-3007430 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30074302010-12-30 2-Amino-4-methylpyridinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate Hemamalini, Madhukar Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title salt, C(6)H(9)N(2) (+)·C(7)H(5)O(6)S(−)·H(2)O, the water molecule acts as an acceptor of bifurcated N—H⋯O hydrogen bonds from the pyridinium H atom and one H atom of the 2-amino group, forming an R (2) (1)(6) ring. The 3-carboxy-4-hydroxybenzenesulfonate anions self-assemble via O—H⋯O hydrogen bonds, leading to supramolecular chains along the a axis. These chains and R (2) (1)(6) motifs are linked via O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds, forming a layer parallel to the ac plane. There is also an intramolecular O—H⋯O hydrogen bond in the 3-carboxy-4-hydroxybenzenesulfonate anion, generating an S(6) ring motif. International Union of Crystallography 2010-07-24 /pmc/articles/PMC3007430/ /pubmed/21588389 http://dx.doi.org/10.1107/S1600536810028539 Text en © Hemamalini and Fun 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 Hemamalini, Madhukar Fun, Hoong-Kun 2-Amino-4-methylpyridinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate |
title | 2-Amino-4-methylpyridinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate |
title_full | 2-Amino-4-methylpyridinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate |
title_fullStr | 2-Amino-4-methylpyridinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate |
title_full_unstemmed | 2-Amino-4-methylpyridinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate |
title_short | 2-Amino-4-methylpyridinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate |
title_sort | 2-amino-4-methylpyridinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007430/ https://www.ncbi.nlm.nih.gov/pubmed/21588389 http://dx.doi.org/10.1107/S1600536810028539 |
work_keys_str_mv | AT hemamalinimadhukar 2amino4methylpyridinium3carboxy4hydroxybenzenesulfonatemonohydrate AT funhoongkun 2amino4methylpyridinium3carboxy4hydroxybenzenesulfonatemonohydrate |