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6-Nitro-1,3-benzothiazole-2(3H)-thione
In the title molecule, 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 molecules into inversion dimers, which are linked by weak C—H⋯O interactions into sheets parallel to (101). The cryst...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2013
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3569234/ https://www.ncbi.nlm.nih.gov/pubmed/23424457 http://dx.doi.org/10.1107/S1600536812049719 |
| _version_ | 1782258858416144384 |
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| author | Qiu, Qi-Ming Cui, Yang-Zhe Zhao, Yin-Hua Jin, Qiong-Hua Zhang, Cun-Lin |
| author_facet | Qiu, Qi-Ming Cui, Yang-Zhe Zhao, Yin-Hua Jin, Qiong-Hua Zhang, Cun-Lin |
| author_sort | Qiu, Qi-Ming |
| collection | PubMed |
| description | In the title molecule, 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 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. |
| format | Online Article Text |
| id | pubmed-3569234 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2013 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-35692342013-02-19 6-Nitro-1,3-benzothiazole-2(3H)-thione Qiu, Qi-Ming Cui, Yang-Zhe Zhao, Yin-Hua Jin, Qiong-Hua Zhang, Cun-Lin Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title molecule, 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 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. International Union of Crystallography 2013-01-04 /pmc/articles/PMC3569234/ /pubmed/23424457 http://dx.doi.org/10.1107/S1600536812049719 Text en © Qiu et al. 2013 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
| spellingShingle | Organic Papers Qiu, Qi-Ming Cui, Yang-Zhe Zhao, Yin-Hua Jin, Qiong-Hua Zhang, Cun-Lin 6-Nitro-1,3-benzothiazole-2(3H)-thione |
| title | 6-Nitro-1,3-benzothiazole-2(3H)-thione |
| title_full | 6-Nitro-1,3-benzothiazole-2(3H)-thione |
| title_fullStr | 6-Nitro-1,3-benzothiazole-2(3H)-thione |
| title_full_unstemmed | 6-Nitro-1,3-benzothiazole-2(3H)-thione |
| title_short | 6-Nitro-1,3-benzothiazole-2(3H)-thione |
| title_sort | 6-nitro-1,3-benzothiazole-2(3h)-thione |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3569234/ https://www.ncbi.nlm.nih.gov/pubmed/23424457 http://dx.doi.org/10.1107/S1600536812049719 |
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