Sodium p-Nitrobenzoxasulfamate Monohydrate

Abstract

The title compound, alternatively named sodium 6-nitro-3H-1,2,3-benzoxathiazole 2,2-dioxide monohydrate, Na+·C<inf>6</inf>H<inf>3</inf>N<inf>2</inf>O<inf>5</inf>S-·H<inf>2</inf>O, consists of chains of NaO<inf>7</inf> units, with the seven donor-O atoms coming from two water molecules and five p-nitrobenzoxasulfamate anions. The seven-coordinate geometry around the Na+ ion is described as monocapped trigonal prismatic, but with a large distortion from ideal geometry. Each triangular face is defined by one O atom each from a water molecule, a nitro group and a sulfonyl group. An O atom from a sulfonyl group caps one of the square faces of the trigonal prism in an unsymmetrical fashion. The water molecules and one sulfonyl O atom are involved in bridging adjacent units, as is the nitro group of the anion. The sulfamate ions adopt an antiparallel alignment between the NaO<inf>7</inf> units and are connected to each other by C-H⋯O and π-π interactions. The three-dimensional crystal structure is stabilized by a network of strong O-H⋯N hydrogen bonds.