Powder 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.
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom