2-[3-(1<i>H</i>-Benzimidazol-2-yl)propyl]-1<i>H</i>-benzimidazol-3-ium 3,4,5-trihydroxybenzoate trihydrate

The characterized organic trihydrate title salt, C<sub>17</sub>H<sub>17</sub>N<sub>4</sub> <sup>+</sup>·C<sub>7</sub>H<sub>5</sub>O<sub>5</sub> <sup>-</sup>·3H<sub>2</sub>O or (H<i>L</i>)<sup>+</sup>(Gal)<sup>-</sup>·3H<sub>2</sub>O, with <i>L</i> = 1,3-bis-(1<i>H</i>-benzimidazol-2-yl)propane (C<sub>17</sub>H<sub>16</sub>N<sub>4</sub>) and HGal = 3,4,5-tri-hydroxy-benzoic acid (gallic acid, C<sub>7</sub>H<sub>6</sub>O<sub>5</sub>), 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 <i>gauche</i> conformation, and the other half is nearly linear, with a <i>trans</i> 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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IUCrData
Published
2025-03-27
DOI
https://doi.org/10.1107/s2414314625002561
Primary Topic
Synthesis and Characterization of Heterocyclic Compounds
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article
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article

2-[3-(1H-Benzimidazol-2-yl)propyl]-1H-benzimidazol-3-ium 3,4,5-trihydroxybenzoate trihydrate

Martha Sosa‐Rivadeneyra, Ángel Mendoza, Sylvain Bernès, José Carlos Palacios Rodríguez
IUCrData
Synthesis and Characterization of Heterocyclic Compounds
article

2-[3-(1H-Benzimidazol-2-yl)propyl]-1H-benzimidazol-3-ium 3,4,5-trihydroxybenzoate trihydrate

Martha Sosa‐Rivadeneyra, Ángel Mendoza, Sylvain Bernès, José Carlos Palacios Rodríguez
article en

Abstract

The characterized organic trihydrate title salt, C<sub>17</sub>H<sub>17</sub>N<sub>4</sub> <sup>+</sup>·C<sub>7</sub>H<sub>5</sub>O<sub>5</sub> <sup>-</sup>·3H<sub>2</sub>O or (H<i>L</i>)<sup>+</sup>(Gal)<sup>-</sup>·3H<sub>2</sub>O, with <i>L</i> = 1,3-bis-(1<i>H</i>-benzimidazol-2-yl)propane (C<sub>17</sub>H<sub>16</sub>N<sub>4</sub>) and HGal = 3,4,5-tri-hydroxy-benzoic acid (gallic acid, C<sub>7</sub>H<sub>6</sub>O<sub>5</sub>), 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 <i>gauche</i> conformation, and the other half is nearly linear, with a <i>trans</i> 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].

IUCrDataVol. 10(3)
Benemérita Universidad Autónoma de Puebla (MX)
Consejo Nacional de Ciencia y Tecnología
Openalex Percentile: Top 96%
Synthesis and Characterization of Heterocyclic Compounds
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