Acta Crystallographica Section E (Feb 2013)

6-Nitro-1,3-benzothiazole-2(3H)-thione

  • Qi-Ming Qiu,
  • Yang-Zhe Cui,
  • Yin-Hua Zhao,
  • Qiong-Hua Jin,
  • Cun-Lin Zhang

DOI
https://doi.org/10.1107/S1600536812049719
Journal volume & issue
Vol. 69, no. 2
pp. o171 – o171

Abstract

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In the title molecule, C7H4N2O2S2, the nitro group is twisted by 5.5 (1)° from the plane of the attached benzene ring. In the crystal, N—H...S hydrogen bonds link pairs of molecules into inversion dimers, which are linked by weak C—H...O interactions into sheets parallel to (101). The crystal packing exhibits short intermolecular S...O contacts of 3.054 (4) Å and π–π interactions of 3.588 (5) Å between the centroids of the five- and six-membered rings of neighbouring molecules.