4-(4-Nitrobenzyl)pyridinium 3-carboxy-4-hydroxybenzenesulfonate

Smith, Graham & Wermuth, Urs D. (2013) 4-(4-Nitrobenzyl)pyridinium 3-carboxy-4-hydroxybenzenesulfonate. Acta Crystallographica Section E : Structure Reports Online, E69, o206-o206.

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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-HO(carboxylic acid) bond. In the crystal, the cation forms a single N+-HOsulfonate hydrogen bond with the anion. These cation-anion pairs interact through duplex anion carboxylic acid O-HOsulfonate hydrogen bonds, giving a centrosymmetric cyclic association [graph set R22(16)]. The crystals studied were non-merohedrally twinned.

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ID Code: 56667
Item Type: Journal Article
Refereed: Yes
Keywords: crystal structure, proton transfer compound, 5-sulfosalicylic acid, hydrogen bonding
DOI: 10.1107/S1600536813000093
ISSN: 1600-5368
Subjects: Australian and New Zealand Standard Research Classification > CHEMICAL SCIENCE (030000)
Divisions: Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2013 International Union of Crystallography
Deposited On: 24 Jan 2013 23:10
Last Modified: 17 Jul 2017 15:02

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