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Crystal structure of 4,4',4''-(1,3,5-triazine-2,4,6-tri-yl)tripyridinium trichloride 2.5-hydrate.

ABSTRACT: The asymmetric unit of the title compound, C18H15N6 (3+)·3Cl(-)·2.5H2O, contains two independent (1,3,5-triazine-2,4,6-tri-yl)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 inter-actions link the organic cations, Cl(-) anions and water mol-ecules into a three-dimensional supra-molecular architecture. ?-? stacking between the pyridine rings of adjacent cations is also observed, the centroid-to-centroid distance being 3.7578?(8)?Å.

SUBMITTER: Ling BK

PROVIDER: S-EPMC4645061 | biostudies-literature | 2015 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of 4,4',4''-(1,3,5-triazine-2,4,6-tri-yl)tripyridinium trichloride 2.5-hydrate.

Ling Bo-Kai BK Feng Xiao-Long XL Li Yang Y Luan Tian-Gang TG

Acta crystallographica. Section E, Crystallographic communications 20151017 Pt 11

The asymmetric unit of the title compound, C18H15N6 (3+)·3Cl(-)·2.5H2O, contains two independent (1,3,5-triazine-2,4,6-tri-yl)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 inter-actions link the organic cations, Cl(-) anions and water mol-ecules into a three-dimensional supra-molecular architecture. π-π stacking be ...[more]

PMID: 26594564

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