Patricio-Rangel Emmanuel Blas, Tlahuextl Margarita, Tlahuext Hugo, Tapia-Benavides Antonio Rafael
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.
Centro de Investigaciones Químicas, Universidad Autónoma del Estado de Morelos, Av. Universidad No. 1001 Col., Chamilpa, CP 62209, Cuernavaca Mor., Mexico.
Acta Crystallogr C Struct Chem. 2020 Apr 1;76(Pt 4):322-327. doi: 10.1107/S2053229620002508. Epub 2020 Mar 5.
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.
报道了两种以2-(氨基甲基)-1H-苯并咪唑盐酸盐为取代基的新型1,3,5-三嗪的合成与表征,即2-{[(4,6-二氯-1,3,5-三嗪-2-基)氨基]甲基}-1H-苯并咪唑-3-鎓氯化物,CHClN·Cl (1),以及双(2,2'-{[(6-氯-1,3,5-三嗪-2,4-二基)双(氮杂二亚基)]双(亚甲基)}双(1H-苯并咪唑-3-鎓))四氯化物七水合物,2CHClN·4Cl·7HO (2)。两种盐均通过单晶X射线衍射分析和红外光谱进行了表征。此外,还获得了1的核磁共振(H和C)光谱。盐1和2具有三斜对称性(空间群P\overline{1}),它们的超分子结构通过氢键和偏移π-π相互作用得以稳定。在水合盐2中,非共价相互作用产生了填充有氯离子和水分子的准纳米管,在精修中对其进行了取代和位置无序建模。