Producción Científica Profesorado

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



Tapia Benavides, Antonio Rafael

2020

Synthesis and crystallographic studies of two new 1,3,5-triazines. Emmanuel Blas Patricio-Rangel, Margarita Tlahuextl, Hugo Tlahuext and Antonio Rafael Tapia-Benavides*, Acta Cryst.. C, Structural Chemistry, 76 (2020) 1-6. ISSN 2053-2296, https://doi.org/10.1107/S2053229620002508


Abstract


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, C11H9Cl2N6+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, 2C19H18ClN92+4Cl?7H2O (2). Both salts were characterized using single-crystal X-ray diffraction analysis and IR spectroscopy. Moreover, the NMR (1H and 13C) 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 ??? 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.



Producto de Investigación




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