Abstract
In the title salt, C12H11N2O2 +·C7H5O6S−, the dihedral angle between the benzene and pyridine rings in the 4-(4-nitrobenzyl)pyridinium cation is 82.7 (2)°. Within the anion there is an intramolecular hydroxy-O—H⋯O(carboxylic acid) bond. In the crystal, the cation forms a single N+—H⋯Osulfonate hydrogen bond with the anion. These cation–anion pairs interact through duplex anion carboxylic acid O—H⋯Osulfonate hydrogen bonds, giving a centrosymmetric cyclic association [graph set R 2 2(16)]. The crystals studied were non-merohedrally twinned.
Highlights
In the title salt, C12H11N2O2+C7H5O6S, the dihedral angle between the benzene and pyridine rings in the 4-(4-nitrobenzyl)pyridinium cation is 82.7 (2)
The cation forms a single N+—H Osulfonate hydrogen bond with the anion. These cation–anion pairs interact through duplex anion carboxylic acid O—
With the title compound (Fig. 1), the dihedral angle between the phenyl and pyridine rings in the 4-(4-nitrobenzyl)pyridinium cation is 82.7 (2)° and this forms a single N+—H···Osulfonate hydrogen bond with the anion. These cation–anion pairs inter-associate through duplex anion carboxylic acid O—H···Osulfonate hydrogen bonds (Table 1, Fig. 2) giving a centrosymmetric cyclic motif [graph set R22(16) (Etter et al, 1990)]
Summary
R factor = 0.071; wR factor = 0.173; data-to-parameter ratio = 13.5. C12H11N2O2+C7H5O6S, the dihedral angle between the benzene and pyridine rings in the 4-(4-nitrobenzyl)pyridinium cation is 82.7 (2). Within the anion there is an intramolecular hydroxy-O—H O(carboxylic acid) bond. The cation forms a single N+—H Osulfonate hydrogen bond with the anion. These cation–anion pairs interact through duplex anion carboxylic acid O—. H Osulfonate hydrogen bonds, giving a centrosymmetric cyclic association [graph set R22(16)].
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