Open AccessPowder study of chlorothiazide N , N ‐dimethylformamide solvate
Author(s) -
Fernandes Philippe,
Florence Alastair J.,
Shankland Kenneth,
Shankland Norman,
Johnston Andrea
Publication year - 2006
Publication title -
acta crystallographica section e
Language(s) - English
Resource type - Journals
ISSN - 1600-5368
DOI - 10.1107/s1600536806015674
Subject(s) - crystallography , dimer , chemistry , benzene , crystal structure , formamide , dimethylformamide , hydrogen bond , halogen , molecule , organic chemistry , solvent , alkyl
The crystal structure of the title compound [systematic name: 6‐chloro‐4 H ‐1,2,4‐benzothiadiazine‐7‐sulfonamide 1,1‐dioxide– N , N ‐dimethylformamide (1/1)], C 7 H 6 ClN 3 O 4 S 2 ·C 3 H 7 NO, 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 π⋯halogen dimer interaction. The benzene rings in adjacent ladders engage with each other in an offset face‐to‐face π–π interaction.