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Crystal structure of 2,6-diaminopyridinium chloride
The asymmetric unit of the title salt, C(5)H(8)N(3) (+)·Cl(−), comprises one half of the 2,6-diaminopyridinium cation (the other half being completed by the application of mirror symmetry) and one Cl(−) counter-anion, also located on the mirror plane. The amino N atom shows a significant pyramidal...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4778825/ https://www.ncbi.nlm.nih.gov/pubmed/27006800 http://dx.doi.org/10.1107/S2056989016002425 |
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author | Mastalir, Matthias Schroffenegger, Martina Stöger, Berthold Weil, Matthias Kirchner, Karl |
author_facet | Mastalir, Matthias Schroffenegger, Martina Stöger, Berthold Weil, Matthias Kirchner, Karl |
author_sort | Mastalir, Matthias |
collection | PubMed |
description | The asymmetric unit of the title salt, C(5)H(8)N(3) (+)·Cl(−), comprises one half of the 2,6-diaminopyridinium cation (the other half being completed by the application of mirror symmetry) and one Cl(−) counter-anion, also located on the mirror plane. The amino N atom shows a significant pyramidalization, with a dihedral angle of 30.4 (14)° between the least-squares planes of the amino group and the non-H atoms of the 2,6-diaminopyridinium moiety. In the crystal, the cationic molecules and Cl(−) counter-anions are arranged in sheets parallel to (001) consisting of alternating polar and non-polar parts associated with the the Cl(−) anions, pyridinium and amino moieties, and the pyridine rings, respectively. N—H⋯Cl interactions within the polar part, as well as slipped π–π interactions in the non-polar part, help to establish the three-dimensional network. |
format | Online Article Text |
id | pubmed-4778825 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-47788252016-03-22 Crystal structure of 2,6-diaminopyridinium chloride Mastalir, Matthias Schroffenegger, Martina Stöger, Berthold Weil, Matthias Kirchner, Karl Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title salt, C(5)H(8)N(3) (+)·Cl(−), comprises one half of the 2,6-diaminopyridinium cation (the other half being completed by the application of mirror symmetry) and one Cl(−) counter-anion, also located on the mirror plane. The amino N atom shows a significant pyramidalization, with a dihedral angle of 30.4 (14)° between the least-squares planes of the amino group and the non-H atoms of the 2,6-diaminopyridinium moiety. In the crystal, the cationic molecules and Cl(−) counter-anions are arranged in sheets parallel to (001) consisting of alternating polar and non-polar parts associated with the the Cl(−) anions, pyridinium and amino moieties, and the pyridine rings, respectively. N—H⋯Cl interactions within the polar part, as well as slipped π–π interactions in the non-polar part, help to establish the three-dimensional network. International Union of Crystallography 2016-02-13 /pmc/articles/PMC4778825/ /pubmed/27006800 http://dx.doi.org/10.1107/S2056989016002425 Text en © Mastalir et al. 2016 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 | Research Communications Mastalir, Matthias Schroffenegger, Martina Stöger, Berthold Weil, Matthias Kirchner, Karl Crystal structure of 2,6-diaminopyridinium chloride |
title | Crystal structure of 2,6-diaminopyridinium chloride |
title_full | Crystal structure of 2,6-diaminopyridinium chloride |
title_fullStr | Crystal structure of 2,6-diaminopyridinium chloride |
title_full_unstemmed | Crystal structure of 2,6-diaminopyridinium chloride |
title_short | Crystal structure of 2,6-diaminopyridinium chloride |
title_sort | crystal structure of 2,6-diaminopyridinium chloride |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4778825/ https://www.ncbi.nlm.nih.gov/pubmed/27006800 http://dx.doi.org/10.1107/S2056989016002425 |
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