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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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Autores principales: Hemamalini, Madhukar, Fun, Hoong-Kun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
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.
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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
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AT funhoongkun 2amino4methylpyridinium3carboxy4hydroxybenzenesulfonatemonohydrate