Poly[μ-aqua-μ-(N,4-dichloro-2-methylbenzenesulfonamidato)-potassium]

In the title compound, [K(C7H6Cl2NO2S)(H2O)]n, the K+ cation is heptacoordinated by two water O atoms, a sulfonyl O atom from each of four different N,4-dichloro-2-methylbenzenesulfonamidate anions and a Cl atom of one of the anions. Further, K—O—K bridges form extensive polymeric chains along the b axis. In the crystal structure, the anions are linked into layers parallel to (100) by O—H⋯Cl and O—H⋯N hydrogen bonds.

In the title compound, [K(C 7 H 6 Cl 2 NO 2 S)(H 2 O)] n , the K + cation is heptacoordinated by two water O atoms, a sulfonyl O atom from each of four different N,4-dichloro-2-methylbenzenesulfonamidate anions and a Cl atom of one of the anions. Further, K-O-K bridges form extensive polymeric chains along the b axis. In the crystal structure, the anions are linked into layers parallel to (100) by O-HÁ Á ÁCl and O-HÁ Á ÁN hydrogen bonds.
In the title compound, K + ion is hepta coordinated by two O atoms from two different water molecules, sulfonyl O atoms of four different N-chloro-2-methyl-4-chlorobenzenesulfonamide anions and the Cl atom of the N-Cl bond in one of the N-chloro-2-methyl-4-chlorobenzene-sulfonamidate anions, similar to the coordination observed in II, III and IV.
However, this is in contrast to the situation for potassium N-chloro-2-chlorobenzenesulfonamidate sesquihydrate (Gowda et al., 2011a) where the K + cation acheives hepta coordination by binding three O atoms from three different water molecules and four sulfonyl O atoms of three different N-chloro-2-chlorobenzenesulfonamidate anions.
The S-N distance of 1.580 (6) Å is consistent with a S-N double bond and is in agreement with the observed values of 1.581 (4) Å in (II), 1.588 (2) Å in (III) and 1.584 (3) Å in (IV).

Experimental
The title compound was prepared by a method similar to the one described by Gowda & Mahadevappa (Gowda & Mahadevappa, 1983). 2 g of 2-methyl-4-chlorobenzenesulfonamide was dissolved with stirring in 40 ml of 5M KOH at 70° C. Pure chlorine gas was bubbled through clear aqueous solution for about 1 hr. The precipitated potassium salt of Nchloro-2-methyl-4-chlorobenzenesulfonamidate was filtered under suction, washed quickly with a minimum quantity of ice cold water. The purity of the compound was checked by determining its melting point (170 ° C) and estimating, iodometrically, the amount of active chlorine present in it. It was further characterized from its infrared spectrum.
Plate like colourless single crystals of the title compound used in the X-ray diffraction studies were obtained from its aqueous solution at room temperature.

Refinement
The O-bound H atoms were located in difference map and were refined with restrained geometry (Nardelli, 1999) 107°.
H atoms bonded to C were positioned with idealized geometry using a riding model with the aromatic C-H = 0.93 Å, methyl C-H = 0.96 Å. All H atoms were refined with isotropic displacement parameters set at 1.2 U eq (C-aromatic, N, O) and 1.5 U eq (C-methyl) of the parent atom.

Computing details
Data collection: CrysAlis CCD (Oxford Diffraction, 2009); cell refinement: CrysAlis RED (Oxford Diffraction, 2009); data reduction: CrysAlis RED (Oxford Diffraction, 2009); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: PLATON (Spek, 2009); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).    Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > σ(F 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.