Synthesis and crystallographic studies of two new 1,3,5-triazines
| Autor: | Emmanuel Blas Patricio-Rangel, Hugo Tlahuext, Margarita Tlahuextl, Antonio R. Tapia-Benavides |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
chemistry.chemical_classification
010405 organic chemistry Hydrogen bond Substituent Infrared spectroscopy Salt (chemistry) Crystal structure Triclinic crystal system 010402 general chemistry Condensed Matter Physics 01 natural sciences Chloride 0104 chemical sciences Inorganic Chemistry chemistry.chemical_compound Crystallography 1 3 5-Triazine chemistry Materials Chemistry medicine Physical and Theoretical Chemistry medicine.drug |
| Zdroj: | Acta Crystallographica Section C Structural Chemistry. 76:322-327 |
| ISSN: | 2053-2296 |
| Popis: | 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, 2C19H18ClN9 2+·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-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. |
| Databáze: | OpenAIRE |
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