Potassium N-chloro-o-toluenesulfonamidate monohydrate

In the crystal structure of the title compound, K+·C7H7ClNO2S−·H2O, the K+ ion is heptacoordinated by two O atoms from water molecules, four sulfonyl O atoms and the Cl atom of the anion. The S—N distance of 1.584 (3) Å is consistent with an S—N double bond. In the crystal, anions are connected by K+ cations into layers parallel to the ab plane. The water molecules are coordinated to the K+ cations and are additionally linked by intermolecular O—H⋯Cl and O—H⋯N hydrogen bonding.

In the crystal structure of the title compound, K + ÁC 7 H 7 ClNO 2 S À ÁH 2 O, the K + ion is heptacoordinated by two O atoms from water molecules, four sulfonyl O atoms and the Cl atom of the anion. The S-N distance of 1.584 (3) Å is consistent with an S-N double bond. In the crystal, anions are connected by K + cations into layers parallel to the ab plane. The water molecules are coordinated to the K + cations and are additionally linked by intermolecular O-HÁ Á ÁCl and O-HÁ Á ÁN hydrogen bonding.
BTG thanks the University Grants Commission, Government of India, New Delhi, for a grant under the UGC-BSR one-time grant to Faculty/Professors. Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: NC2234).
In the crystal structure of the title compound the K + ion is hepta coordinated by two O atoms from water molecules, four sulfonyl O atoms and one Cl atom of the N-chloro,o-toluenesulfonamidate anions ( Fig. 1). This coordination geometry is different from that in II and III, in which the potassium cations are hepta coordinated by three O atoms from water molecules and by four sulfonyl O atoms and and in III, in which the cations are octahedral coordinated.
The S-N distance of 1.584 (3)Å is consistent with an S-N double bond and is in agreement with the observed values of 1.582 (2)Å in II, 1.577 (5)Å in III and 1.590 (2) Å in IV.
The crystal structure comprises sheets parallel to the ab plane (Fig. 2). The molecular packing is additionally stabilized by O-H···Cl and O-H···N hydrogen bonds (Table 1).

Experimental
The title compound was prepared by the method similar to that reported in literature (Jyothi & Gowda, 2004). o-Toluenesulfonamide (2 g) was dissolved in hot aqueous solution (70° C) of 5 M KOH (40 ml). The resulting solution was filtered and Chlorine gas was passed through the clear solution of o-toluenesulfonamide in KOH to obtain the title compound. It was filtered under suction, quickly washed with a minimum quantity of ice cold water and dried. The purity of the compound was checked by determining its melting point (155° C). Colourless prisms of the compound were obtained from its aqueous solution at room temperature.

Refinement
The water H atoms were located in difference map and were refined with O-H distance restrained to 0.85 (2) Å and H-H distance restrained to 1.365 Å. The other H atoms were positioned with idealized geometry using a riding model with the aromatic C-H = 0.93 Å and methyl C-H = 0.96 Å. All H atoms were refined with isotropic displacement parameters (set to 1.2 times of the U eq of the parent atom).