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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...

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Autores principales: Mastalir, Matthias, Schroffenegger, Martina, Stöger, Berthold, Weil, Matthias, Kirchner, Karl
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
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.
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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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