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2-Amino-4-methylpyridinium trifluoroacetate
The asymmetric unit of the title compound, C(6)H(9)N(2) (+)·C(2)F(3)O(2) (−), contains two independent 2-amino-4-methylpyridinium cations and two independent trifluoroacetate anions. The F atoms of both anions are disordered over two sets of sites, with site occupancies of 0.50 (3) and 0.50 (3) in...
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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/PMC2984062/ https://www.ncbi.nlm.nih.gov/pubmed/21580622 http://dx.doi.org/10.1107/S1600536810008202 |
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author | Hemamalini, Madhukar Fun, Hoong-Kun |
author_facet | Hemamalini, Madhukar Fun, Hoong-Kun |
author_sort | Hemamalini, Madhukar |
collection | PubMed |
description | The asymmetric unit of the title compound, C(6)H(9)N(2) (+)·C(2)F(3)O(2) (−), contains two independent 2-amino-4-methylpyridinium cations and two independent trifluoroacetate anions. The F atoms of both anions are disordered over two sets of sites, with site occupancies of 0.50 (3) and 0.50 (3) in one of the anions, and 0.756 (9) and 0.244 (9) in the other. In the crystal, the cations and anions are linked into chains along the b axis by N—H⋯O hydrogen bonds and these chains are cross-linked by C—H⋯O hydrogen bonds, forming a two-dimensional network lying parallel to (101). The crystal structure is further stabilized by π–π interactions between the pyridinium rings [centroid–centroid distances = 3.5842 (13) and 3.5665 (16) Å]. |
format | Text |
id | pubmed-2984062 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29840622010-12-30 2-Amino-4-methylpyridinium trifluoroacetate Hemamalini, Madhukar Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(6)H(9)N(2) (+)·C(2)F(3)O(2) (−), contains two independent 2-amino-4-methylpyridinium cations and two independent trifluoroacetate anions. The F atoms of both anions are disordered over two sets of sites, with site occupancies of 0.50 (3) and 0.50 (3) in one of the anions, and 0.756 (9) and 0.244 (9) in the other. In the crystal, the cations and anions are linked into chains along the b axis by N—H⋯O hydrogen bonds and these chains are cross-linked by C—H⋯O hydrogen bonds, forming a two-dimensional network lying parallel to (101). The crystal structure is further stabilized by π–π interactions between the pyridinium rings [centroid–centroid distances = 3.5842 (13) and 3.5665 (16) Å]. International Union of Crystallography 2010-03-10 /pmc/articles/PMC2984062/ /pubmed/21580622 http://dx.doi.org/10.1107/S1600536810008202 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 trifluoroacetate |
title | 2-Amino-4-methylpyridinium trifluoroacetate |
title_full | 2-Amino-4-methylpyridinium trifluoroacetate |
title_fullStr | 2-Amino-4-methylpyridinium trifluoroacetate |
title_full_unstemmed | 2-Amino-4-methylpyridinium trifluoroacetate |
title_short | 2-Amino-4-methylpyridinium trifluoroacetate |
title_sort | 2-amino-4-methylpyridinium trifluoroacetate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2984062/ https://www.ncbi.nlm.nih.gov/pubmed/21580622 http://dx.doi.org/10.1107/S1600536810008202 |
work_keys_str_mv | AT hemamalinimadhukar 2amino4methylpyridiniumtrifluoroacetate AT funhoongkun 2amino4methylpyridiniumtrifluoroacetate |