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Volume 69 
Part 8 
Page m426  
August 2013  

Received 27 May 2013
Accepted 6 June 2013
Online 3 July 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.011 Å
R = 0.076
wR = 0.193
Data-to-parameter ratio = 16.0
Details
Open access

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

aDepartment of Chemistry, Mangalore University, Mangalagangotri 574 199, Mangalore, India,bInstitute of Materials Science, Darmstadt University of Technology, Petersenstrasse 23, D-64287 Darmstadt, Germany, and cJnanabharathi Campus, Bangalore University, Bangalore 560 056, India
Correspondence e-mail: gowdabt@yahoo.com

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.

Related literature

For preparation of N-haloarylsulfonamides, see: Gowda & Mahadevappa (1983[Gowda, B. T. & Mahadevappa, D. S. (1983). Talanta, 30, 359-362.]). For studies of the effect of substituents on the structures of N-haloarylsulfonamidates, see: George et al. (2000[George, E., Vivekanandan, S. & Sivakumar, K. (2000). Acta Cryst. C56, 1208-1209.]); Gowda et al. (2007[Gowda, B. T., Foro, S., Kozísek, J. & Fuess, H. (2007). Acta Cryst. E63, m1688.], 2011a[Gowda, B. T., Foro, S. & Shakuntala, K. (2011a). Acta Cryst. E67, m914.],b[Gowda, B. T., Foro, S. & Shakuntala, K. (2011b). Acta Cryst. E67, m918.],c[Gowda, B. T., Foro, S. & Shakuntala, K. (2011c). Acta Cryst. E67, m961.]); Olmstead & Power (1986[Olmstead, M. M. & Power, P. P. (1986). Inorg. Chem. 25, 4057-4058.]). For restrained geometry, see: Nardelli (1999[Nardelli, M. (1999). J. Appl. Cryst. 32, 563-571.]).

[Scheme 1]

Experimental

Crystal data
  • [K(C7H6Cl2NO2S)(H2O)]

  • Mr = 296.20

  • Monoclinic, P 21 /c

  • a = 15.190 (1) Å

  • b = 11.3138 (9) Å

  • c = 6.7200 (5) Å

  • [beta] = 100.627 (7)°

  • V = 1135.07 (14) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.11 mm-1

  • T = 293 K

  • 0.44 × 0.28 × 0.06 mm

Data collection
  • Oxford Diffraction Xcalibur diffractometer with a Sapphire CCD detector

  • Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2009[Oxford Diffraction (2009). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, England.]) Tmin = 0.642, Tmax = 0.937

  • 4588 measured reflections

  • 2297 independent reflections

  • 2043 reflections with I > 2[sigma](I)

  • Rint = 0.022

Refinement
  • R[F2 > 2[sigma](F2)] = 0.076

  • wR(F2) = 0.193

  • S = 1.28

  • 2297 reflections

  • 144 parameters

  • 3 restraints

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 0.96 e Å-3

  • [Delta][rho]min = -0.45 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O3-H31...N1i 0.85 (2) 2.06 (2) 2.901 (9) 173 (9)
O3-H32...Cl1ii 0.85 (2) 2.86 (5) 3.603 (6) 148 (9)
Symmetry codes: (i) -x+1, -y+1, -z; (ii) [-x+1, y-{\script{1\over 2}}, -z-{\script{1\over 2}}].

Data collection: CrysAlis CCD (Oxford Diffraction, 2009[Oxford Diffraction (2009). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, England.]); cell refinement: CrysAlis RED (Oxford Diffraction, 2009[Oxford Diffraction (2009). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, England.]); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SJ5326 ).


Acknowledgements

HSS thanks the Department of Science and Technology, Government of India, New Delhi, for a Research Fellowship through PURSE Grants and BTG thanks the University Grants Commission, Government of India, New Delhi, for a grant under the UGC-BSR one-time grant to Faculty/Professors.

References

George, E., Vivekanandan, S. & Sivakumar, K. (2000). Acta Cryst. C56, 1208-1209.  [CSD] [CrossRef] [IUCr Journals]
Gowda, B. T., Foro, S., Kozísek, J. & Fuess, H. (2007). Acta Cryst. E63, m1688.  [CSD] [CrossRef] [IUCr Journals]
Gowda, B. T., Foro, S. & Shakuntala, K. (2011a). Acta Cryst. E67, m914.  [CSD] [CrossRef] [IUCr Journals]
Gowda, B. T., Foro, S. & Shakuntala, K. (2011b). Acta Cryst. E67, m918.  [CrossRef] [IUCr Journals]
Gowda, B. T., Foro, S. & Shakuntala, K. (2011c). Acta Cryst. E67, m961.  [CSD] [CrossRef] [IUCr Journals]
Gowda, B. T. & Mahadevappa, D. S. (1983). Talanta, 30, 359-362.  [CrossRef] [PubMed] [ChemPort] [Web of Science]
Nardelli, M. (1999). J. Appl. Cryst. 32, 563-571.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Olmstead, M. M. & Power, P. P. (1986). Inorg. Chem. 25, 4057-4058.  [CrossRef] [ChemPort] [Web of Science]
Oxford Diffraction (2009). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, England.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]


Acta Cryst (2013). E69, m426  [ doi:10.1107/S1600536813015845 ]

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