Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 2 (February 2013)


organic compounds



cv5367 scheme

Acta Cryst. (2013). E69, o171    [ doi:10.1107/S1600536812049719 ]

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

Q.-M. Qiu, Y.-Z. Cui, Y.-H. Zhao, Q.-H. Jin and C.-L. Zhang

Abstract: 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 [pi]-[pi] interactions of 3.588 (5) Å between the centroids of the five- and six-membered rings of neighbouring molecules.


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