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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...

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Detalles Bibliográficos
Autores principales: Ling, Bo-Kai, Feng, Xiao-Long, Li, Yang, Luan, Tian-Gang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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.
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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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