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2-Amino-5-bromopyridinium 2-carboxybenzoate
The asymmetric unit of the title compound, C(5)H(6)BrN(2) (+)·C(8)H(5)O(4) (−), consists of two crystallographically independent 2-amino-5-bromopyridinium cations (A and B) and two 2-carboxybenzoate anions (A and B). Each 2-amino-5-bromopyridinium cation is approximately planar, with a maximum d...
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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/PMC3008123/ https://www.ncbi.nlm.nih.gov/pubmed/21588627 http://dx.doi.org/10.1107/S1600536810030977 |
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author | Quah, Ching Kheng Hemamalini, Madhukar Fun, Hoong-Kun |
author_facet | Quah, Ching Kheng Hemamalini, Madhukar Fun, Hoong-Kun |
author_sort | Quah, Ching Kheng |
collection | PubMed |
description | The asymmetric unit of the title compound, C(5)H(6)BrN(2) (+)·C(8)H(5)O(4) (−), consists of two crystallographically independent 2-amino-5-bromopyridinium cations (A and B) and two 2-carboxybenzoate anions (A and B). Each 2-amino-5-bromopyridinium cation is approximately planar, with a maximum deviation of 0.047 (1) Å in cation A and 0.027 (1) Å in cation B. The 2-amino-5-bromopyridinium unit in cation A is inclined at dihedral angles of 4.9 (3) and 2.2 (3)° with the phenyl rings of the A and B 2-carboxybenzoate anions, respectively. The corresponding angles for cation B are 3.0 (3) and 5.6 (3)°. The molecular structure is stabilized by an intramolecular O—H⋯O hydrogen bond,which generates an S(7) ring motif. The cations and anions are linked via intermolecular N—H⋯O and C—H⋯O hydrogen bonds, generating R (2) (2)(8) ring motifs. In the crystal packing, molecules are linked into wave-like chains along [001] via adjacent ring motifs. Short intermolecular distances between the phenyl and pyridine rings [3.613 (4) and 3.641 (4) Å] indicate the existence of π–π interactions. The crystal structure is a non-merohedral twin with a contribution of 0.271 (3) of the minor component. |
format | Text |
id | pubmed-3008123 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30081232010-12-30 2-Amino-5-bromopyridinium 2-carboxybenzoate Quah, Ching Kheng Hemamalini, Madhukar Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(5)H(6)BrN(2) (+)·C(8)H(5)O(4) (−), consists of two crystallographically independent 2-amino-5-bromopyridinium cations (A and B) and two 2-carboxybenzoate anions (A and B). Each 2-amino-5-bromopyridinium cation is approximately planar, with a maximum deviation of 0.047 (1) Å in cation A and 0.027 (1) Å in cation B. The 2-amino-5-bromopyridinium unit in cation A is inclined at dihedral angles of 4.9 (3) and 2.2 (3)° with the phenyl rings of the A and B 2-carboxybenzoate anions, respectively. The corresponding angles for cation B are 3.0 (3) and 5.6 (3)°. The molecular structure is stabilized by an intramolecular O—H⋯O hydrogen bond,which generates an S(7) ring motif. The cations and anions are linked via intermolecular N—H⋯O and C—H⋯O hydrogen bonds, generating R (2) (2)(8) ring motifs. In the crystal packing, molecules are linked into wave-like chains along [001] via adjacent ring motifs. Short intermolecular distances between the phenyl and pyridine rings [3.613 (4) and 3.641 (4) Å] indicate the existence of π–π interactions. The crystal structure is a non-merohedral twin with a contribution of 0.271 (3) of the minor component. International Union of Crystallography 2010-08-11 /pmc/articles/PMC3008123/ /pubmed/21588627 http://dx.doi.org/10.1107/S1600536810030977 Text en © Quah 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 Quah, Ching Kheng Hemamalini, Madhukar Fun, Hoong-Kun 2-Amino-5-bromopyridinium 2-carboxybenzoate |
title | 2-Amino-5-bromopyridinium 2-carboxybenzoate |
title_full | 2-Amino-5-bromopyridinium 2-carboxybenzoate |
title_fullStr | 2-Amino-5-bromopyridinium 2-carboxybenzoate |
title_full_unstemmed | 2-Amino-5-bromopyridinium 2-carboxybenzoate |
title_short | 2-Amino-5-bromopyridinium 2-carboxybenzoate |
title_sort | 2-amino-5-bromopyridinium 2-carboxybenzoate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3008123/ https://www.ncbi.nlm.nih.gov/pubmed/21588627 http://dx.doi.org/10.1107/S1600536810030977 |
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