Abstract
The title compound, C11H9N3O4S·H2O, contains both an acid and a base centre and displays a zwitterionic structure. There are two independent molecules and two water molecules in the asymmetric unit. The dihedral angles between the benzene ring and the pyridinium ring are 109.7 (1) and 110.7 (1)°. The dihedral angles between the nitro group and the benzene ring are 116.1 (2) and 116.7 (1)°. The crystal structure is stabilized by N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds.
Highlights
The title compound, C11H9N3O4SÁH2O, contains both an acid and a base centre and displays a zwitterionic structure
The dihedral angles between the benzene ring and the pyridinium ring are 109.7 (1) and 110.7 (1)
The dihedral angles between the nitro group and the benzene ring are 116.1 (2) and 116.7 (1)
Summary
Key indicators: single-crystal X-ray study; T = 113 K; mean (C–C) = 0.004 A; R factor = 0.032; wR factor = 0.090; data-to-parameter ratio = 12.0. The title compound, C11H9N3O4SÁH2O, contains both an acid and a base centre and displays a zwitterionic structure. The dihedral angles between the benzene ring and the pyridinium ring are 109.7 (1) and 110.7 (1). The dihedral angles between the nitro group and the benzene ring are 116.1 (2) and 116.7 (1). The crystal structure is stabilized by N—HÁ Á ÁO, O—HÁ Á ÁN and O—HÁ Á ÁO hydrogen bonds. Related literature For the uses of organic pyridinium salts, see: Damiano et al (2007). For zwitterionic forms of N-arylbenzenesulfonamides, see: Li et al (2007); Yu & Li (2007). See: Allen et al (1987)
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