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6-Nitro-1,3-benzothia-zole-2(3H)-thione.

ABSTRACT: In the title mol-ecule, C(7)H(4)N(2)O(2)S(2), 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 mol-ecules into inversion dimers, which are linked by weak C-H?O inter-actions into sheets parallel to (101). The crystal packing exhibits short inter-molecular S?O contacts of 3.054?(4)?Å and ?-? inter-actions of 3.588?(5)?Å between the centroids of the five- and six-membered rings of neighbouring mol-ecules.

SUBMITTER: Qiu QM

PROVIDER: S-EPMC3569234 | biostudies-literature | 2013 Feb

REPOSITORIES: biostudies-literature

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6-Nitro-1,3-benzothia-zole-2(3H)-thione.

Qiu Qi-Ming QM Cui Yang-Zhe YZ Zhao Yin-Hua YH Jin Qiong-Hua QH Zhang Cun-Lin CL

Acta crystallographica. Section E, Structure reports online 20130104 Pt 2

In the title mol-ecule, C(7)H(4)N(2)O(2)S(2), 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 mol-ecules into inversion dimers, which are linked by weak C-H⋯O inter-actions into sheets parallel to (101). The crystal packing exhibits short inter-molecular S⋯O contacts of 3.054 (4) Å and π-π inter-actions of 3.588 (5) Å between the centroids of the five- and six-membered rings of neighbouring mol-ecules. ...[more]

PMID: 23424457

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