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2-[3-(1H-Benzimidazol-2-yl)prop-yl]-1H-benzimidazol-3-ium 3,4,5-tri-hydroxy-benzoate trihydrate
José Carlos Palacios Rodríguez1, Angel Mendoza2, Martha Sosa Rivadeneyra1
1Facultad de Ciencias Químicas, Benemérita Universidad Autónoma de Puebla, 72570 Puebla, Pue., Mexico.
Abstract:
The characterized organic trihydrate title salt, C17H17N4 +·C7H5O5 -·3H2O or (HL)+(Gal)-·3H2O, with L = 1,3-bis-(1H-benzimidazol-2-yl)propane (C17H16N4) and HGal = 3,4,5-tri-hydroxy-benzoic acid (gallic acid, C7H6O5), crystallizes with two formulas per asymmetric unit. One-half of the cations in the crystal feature a bent shape, with the central propyl chain having a gauche conformation, and the other half is nearly linear, with a trans propyl chain. Both cations form two independent herringbone layers in the crystal, which allow efficient π-π inter-actions between aromatic rings of the benzimidazole moieties. These layers are parallel to (100), and anions and water mol-ecules of crystallization inter-calate between these cationic planes. All potential donor groups for hydrogen bonding (NH and OH groups) actually form hydrogen bonds, ensuring a good cohesion between layers of cations and anions, stacked along [100].
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