Acta Cryst. (2006). E62, o2216-o2218  [ doi:10.1107/S1600536806015674 ]

Powder study of chlorothiazide N,N-dimethylformamide solvate

P. Fernandes, A. J. Florence, K. Shankland, N. Shankland and A. Johnston

Abstract: The crystal structure of the title compound [systematic name: 6-chloro-4H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide-N,N-dimethylformamide (1/1)], C₇H₆ClN₃O₄S₂·C₃H₇NO, was solved by simulated annealing from laboratory X-ray powder diffraction data collected at 100 K. Subsequent Rietveld refinement, using data collected to 1.5 Å resolution, yielded an R_wp of 0.050. Hydrogen bonds to N,N-dimethylformamide form the rungs of a ladder motif, which is further stabilized by a halogen dimer interaction. The benzene rings in adjacent ladders engage with each other in an offset face-to-face - interaction.

Online 10 May 2006

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