Acta Crystallographica Section E (Mar 2008)

(3R,5S)-5(3)-Carboxy-3,4,5,6-tetrahydro-2H-1,4-thiazin-4-ium-3(5)-carboxylate

  • Susanne Heidi Plattner,
  • Marcello Colapietro,
  • Alberto Cassetta,
  • Gustavo Portalone

DOI
https://doi.org/10.1107/S1600536808005151
Journal volume & issue
Vol. 64, no. 3
pp. o636 – o636

Abstract

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The molecule of the zwitterionic title compound, C6H9NO4S, which lies on a mirror plane, shows a puckered chair conformation of the six-membered ring with the S and N atoms out of the mean plane of the other four C atoms by 0.929 (2) and 0.647 (2) Å, respectively. The ionized carboxyl group is equatorially oriented. The hydrogen-bonding network includes very short O—H...O [2.470 (2) Å] and N—H...S [3.471 (2) and 3.416 (2) Å] intermolecular contacts.