Acta Crystallographica Section E (Oct 2012)

2-(3,5-Dimethyl-1,1-dioxo-2H-1λ6,2,6-thiadiazin-4-yl)benzoic acid

  • Nilay Bhatt,
  • Pralav Bhatt,
  • Thavendran Govender,
  • Hendrik G. Kruger,
  • Glenn E. M. Maguire

DOI
https://doi.org/10.1107/S1600536812037026
Journal volume & issue
Vol. 68, no. 10
pp. o2859 – o2859

Abstract

Read online

In the title molecule, C12H12N2O4S, the S atom of the thiadiazine ring deviates by 0.5104 (4) Å from the mean plane of the other five atoms [largest deviation = 0.0623 (15) Å] giving a slightly distorted sofa conformation. The carboxy H atom was refined as disordered over two sets of sites with refined occupancies of 0.58 (2) and 0.48 (2). This corresponds to rotational disorder of the C=O and O—H groups about the attached C—C bond. In the crystal, O—H...O and N—H...O hydrogen bonds connect the molecules into chains along [110].