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Synthesis and crystallographic studies of two new 1,3,5-triazines. | LitMetric

Synthesis and crystallographic studies of two new 1,3,5-triazines.

Acta Crystallogr C Struct Chem

Centro de Investigaciones Químicas, Universidad Autónoma del Estado de Hidalgo, Carretera Pachuca-Tulancingo Km. 4.5 U. Universitaria, CP 42184 Mineral de la Reforma Hgo., Mexico.

Published: April 2020

The synthesis and characterization of two new 1,3,5-triazines containing 2-(aminomethyl)-1H-benzimidazole hydrochloride as a substituent are reported, namely, 2-{[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl}-1H-benzimidazol-3-ium chloride, CHClN·Cl (1), and bis(2,2'-{[(6-chloro-1,3,5-triazine-2,4-diyl)bis(azanediyl)]bis(methylene)}bis(1H-benzimidazol-3-ium)) tetrachloride heptahydrate, 2CHClN·4Cl·7HO (2). Both salts were characterized using single-crystal X-ray diffraction analysis and IR spectroscopy. Moreover, the NMR (H and C) spectra of 1 were obtained. Salts 1 and 2 have triclinic symmetry (space group P\overline{1}) and their supramolecular structures are stabilized by hydrogen bonding and offset π-π interactions. In hydrated salt 2, the noncovalent interactions yield pseudo-nanotubes filled with chloride anions and water molecules, which were modelled in the refinement with substitutional and positional disorder.

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http://dx.doi.org/10.1107/S2053229620002508DOI Listing

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