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Synthesis and crystallographic studies of two new 1,3,5‐triazines
Author(s) -
Patricio-Rangel Emmanuel Blas,
Tlahuextl Margarita,
Tlahuext Hugo,
Tapia-Benavides Antonio Rafael
Publication year - 2020
Publication title -
acta crystallographica section c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.304
H-Index - 17
ISSN - 2053-2296
DOI - 10.1107/s2053229620002508
Subject(s) - triclinic crystal system , chemistry , hydrogen bond , supramolecular chemistry , crystallography , substituent , chloride , molecule , methylene , crystal structure , benzimidazole , non covalent interactions , salt (chemistry) , stereochemistry , medicinal chemistry , organic chemistry
The synthesis and characterization of two new 1,3,5‐triazines containing 2‐(aminomethyl)‐1 H ‐benzimidazole hydrochloride as a substituent are reported, namely, 2‐{[(4,6‐dichloro‐1,3,5‐triazin‐2‐yl)amino]methyl}‐1 H ‐benzimidazol‐3‐ium chloride, C 11 H 9 Cl 2 N 6 + ·Cl − ( 1 ), and bis(2,2′‐{[(6‐chloro‐1,3,5‐triazine‐2,4‐diyl)bis(azanediyl)]bis(methylene)}bis(1 H ‐benzimidazol‐3‐ium)) tetrachloride heptahydrate, 2C 19 H 18 ClN 9 2+ ·4Cl − ·7H 2 O ( 2 ). Both salts were characterized using single‐crystal X‐ray diffraction analysis and IR spectroscopy. Moreover, the NMR ( 1 H and 13 C) spectra of 1 were obtained. Salts 1 and 2 have triclinic symmetry (space group P ) 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.