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2-Amino-5-bromopyridinium 3-aminobenzoate
In the title salt, C(5)H(6)BrN(2) (+)·C(7)H(6)NO(2) (−), the pyridine N atom of the 2-amino-5-bromopyridine molecule is protonated. In the crystal, the protonated N atom and the 2-amino group are hydrogen-bonded to the carboxylate O atoms via a pair of N—H⋯O hydrogen bonds, forming an R (2) (2)(8...
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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/PMC2983620/ https://www.ncbi.nlm.nih.gov/pubmed/21580412 http://dx.doi.org/10.1107/S1600536810006288 |
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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 title salt, C(5)H(6)BrN(2) (+)·C(7)H(6)NO(2) (−), the pyridine N atom of the 2-amino-5-bromopyridine molecule is protonated. In the crystal, the protonated N atom and the 2-amino group are hydrogen-bonded to the carboxylate O atoms via a pair of N—H⋯O hydrogen bonds, forming an R (2) (2)(8) ring motif. Two inversion-related 3-aminobenzoate anions are linked through N—H⋯O hydrogen-bonds, forming an R (2) (2)(14) ring motif. The crystal structure is further stabilized by π⋯π interactions involving the benzene and pyridinium rings with a centroid–centroid distance of 3.7743 (15) Å. |
format | Text |
id | pubmed-2983620 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29836202010-12-30 2-Amino-5-bromopyridinium 3-aminobenzoate Hemamalini, Madhukar Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title salt, C(5)H(6)BrN(2) (+)·C(7)H(6)NO(2) (−), the pyridine N atom of the 2-amino-5-bromopyridine molecule is protonated. In the crystal, the protonated N atom and the 2-amino group are hydrogen-bonded to the carboxylate O atoms via a pair of N—H⋯O hydrogen bonds, forming an R (2) (2)(8) ring motif. Two inversion-related 3-aminobenzoate anions are linked through N—H⋯O hydrogen-bonds, forming an R (2) (2)(14) ring motif. The crystal structure is further stabilized by π⋯π interactions involving the benzene and pyridinium rings with a centroid–centroid distance of 3.7743 (15) Å. International Union of Crystallography 2010-02-20 /pmc/articles/PMC2983620/ /pubmed/21580412 http://dx.doi.org/10.1107/S1600536810006288 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-5-bromopyridinium 3-aminobenzoate |
title | 2-Amino-5-bromopyridinium 3-aminobenzoate |
title_full | 2-Amino-5-bromopyridinium 3-aminobenzoate |
title_fullStr | 2-Amino-5-bromopyridinium 3-aminobenzoate |
title_full_unstemmed | 2-Amino-5-bromopyridinium 3-aminobenzoate |
title_short | 2-Amino-5-bromopyridinium 3-aminobenzoate |
title_sort | 2-amino-5-bromopyridinium 3-aminobenzoate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983620/ https://www.ncbi.nlm.nih.gov/pubmed/21580412 http://dx.doi.org/10.1107/S1600536810006288 |
work_keys_str_mv | AT hemamalinimadhukar 2amino5bromopyridinium3aminobenzoate AT funhoongkun 2amino5bromopyridinium3aminobenzoate |