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Crystal structure of 4,4′,4′′-(1,3,5-triazine-2,4,6-triyl)tripyridinium trichloride 2.5-hydrate
The asymmetric unit of the title compound, C(18)H(15)N(6) (3+)·3Cl(−)·2.5H(2)O, contains two independent (1,3,5-triazine-2,4,6-triyl)tripyridinium cations. Both cations are approximately planar, the r.m.s. deviations of fitted non-H atoms being 0.045 and 0.051 Å. In the crystal, extensive O—H⋯Cl, O...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645061/ https://www.ncbi.nlm.nih.gov/pubmed/26594564 http://dx.doi.org/10.1107/S2056989015018125 |
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author | Ling, Bo-Kai Feng, Xiao-Long Li, Yang Luan, Tian-Gang |
author_facet | Ling, Bo-Kai Feng, Xiao-Long Li, Yang Luan, Tian-Gang |
author_sort | Ling, Bo-Kai |
collection | PubMed |
description | The asymmetric unit of the title compound, C(18)H(15)N(6) (3+)·3Cl(−)·2.5H(2)O, contains two independent (1,3,5-triazine-2,4,6-triyl)tripyridinium cations. Both cations are approximately planar, the r.m.s. deviations of fitted non-H atoms being 0.045 and 0.051 Å. In the crystal, extensive O—H⋯Cl, O—H⋯O, N—H⋯Cl and N—H⋯O hydrogen bonds and weak C—H⋯Cl and C—H⋯O interactions link the organic cations, Cl(−) anions and water molecules into a three-dimensional supramolecular architecture. π–π stacking between the pyridine rings of adjacent cations is also observed, the centroid-to-centroid distance being 3.7578 (8) Å. |
format | Online Article Text |
id | pubmed-4645061 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-46450612015-11-20 Crystal structure of 4,4′,4′′-(1,3,5-triazine-2,4,6-triyl)tripyridinium trichloride 2.5-hydrate Ling, Bo-Kai Feng, Xiao-Long Li, Yang Luan, Tian-Gang Acta Crystallogr E Crystallogr Commun Data Reports The asymmetric unit of the title compound, C(18)H(15)N(6) (3+)·3Cl(−)·2.5H(2)O, contains two independent (1,3,5-triazine-2,4,6-triyl)tripyridinium cations. Both cations are approximately planar, the r.m.s. deviations of fitted non-H atoms being 0.045 and 0.051 Å. In the crystal, extensive O—H⋯Cl, O—H⋯O, N—H⋯Cl and N—H⋯O hydrogen bonds and weak C—H⋯Cl and C—H⋯O interactions link the organic cations, Cl(−) anions and water molecules into a three-dimensional supramolecular architecture. π–π stacking between the pyridine rings of adjacent cations is also observed, the centroid-to-centroid distance being 3.7578 (8) Å. International Union of Crystallography 2015-10-17 /pmc/articles/PMC4645061/ /pubmed/26594564 http://dx.doi.org/10.1107/S2056989015018125 Text en © Ling et al. 2015 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 | Data Reports Ling, Bo-Kai Feng, Xiao-Long Li, Yang Luan, Tian-Gang Crystal structure of 4,4′,4′′-(1,3,5-triazine-2,4,6-triyl)tripyridinium trichloride 2.5-hydrate |
title | Crystal structure of 4,4′,4′′-(1,3,5-triazine-2,4,6-triyl)tripyridinium trichloride 2.5-hydrate |
title_full | Crystal structure of 4,4′,4′′-(1,3,5-triazine-2,4,6-triyl)tripyridinium trichloride 2.5-hydrate |
title_fullStr | Crystal structure of 4,4′,4′′-(1,3,5-triazine-2,4,6-triyl)tripyridinium trichloride 2.5-hydrate |
title_full_unstemmed | Crystal structure of 4,4′,4′′-(1,3,5-triazine-2,4,6-triyl)tripyridinium trichloride 2.5-hydrate |
title_short | Crystal structure of 4,4′,4′′-(1,3,5-triazine-2,4,6-triyl)tripyridinium trichloride 2.5-hydrate |
title_sort | crystal structure of 4,4′,4′′-(1,3,5-triazine-2,4,6-triyl)tripyridinium trichloride 2.5-hydrate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645061/ https://www.ncbi.nlm.nih.gov/pubmed/26594564 http://dx.doi.org/10.1107/S2056989015018125 |
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