2-[3-(1H-Benzimidazol-2-yl)propyl]-1H-benzimidazol-3-ium 3,4,5-trihydroxybenzoate trihydrate
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-trihydroxybenzoic acid (gallic acid, C7H6O5), crystallizes with two formulas per asymmetric unit. One-half of the cations in the crys...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2025-03-01
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| Series: | IUCrData |
| Subjects: | |
| Online Access: | https://journals.iucr.org/paper?S2414314625002561 |
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| Summary: | 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-trihydroxybenzoic 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 interactions between aromatic rings of the benzimidazole moieties. These layers are parallel to (100), and anions and water molecules of crystallization intercalate 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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| ISSN: | 2414-3146 |