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-HS hydrogen bonds link pairs of molecules into inversion dimers, which are linked by weak C-HO interactions into sheets parallel to (101). The crystal packing exhibits short intermolecular SO 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.


	Hyper-Text Markup Language (HTML) file [ doi:10.1107/S1600536812049719/cv5367sup0.html ] Supplementary materials

	Chemical Markup Language (CML) file (3.3 kbytes) [ doi:10.1107/S1600536812049719/cv5367Isup3.cml ] Supplementary material

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