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2-(1,3-Benzothiazol-2-yl)guanidine
In the title comound, C(8)H(8)N(4)S, one of the two independent molecules is essentially planar (r.m.s. deviation = 0.025 Å), while the other is slightly buckled (r.m.s. deviation = 0.131 Å) with the guanidine unit bent out of the plane of the fused-ring system by 16.8 (1)°. In the crystal, interm...
| Autores principales: | , , , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2011
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099861/ https://www.ncbi.nlm.nih.gov/pubmed/21754077 http://dx.doi.org/10.1107/S160053681100732X |
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| author | Mohamed, Shaaban Kamel El-Remaily, Mahmoud A. A. Soliman, Ahmed M. Gurbanov, Atash V. Ng, Seik Weng |
| author_facet | Mohamed, Shaaban Kamel El-Remaily, Mahmoud A. A. Soliman, Ahmed M. Gurbanov, Atash V. Ng, Seik Weng |
| author_sort | Mohamed, Shaaban Kamel |
| collection | PubMed |
| description | In the title comound, C(8)H(8)N(4)S, one of the two independent molecules is essentially planar (r.m.s. deviation = 0.025 Å), while the other is slightly buckled (r.m.s. deviation = 0.131 Å) with the guanidine unit bent out of the plane of the fused-ring system by 16.8 (1)°. In the crystal, intermolecular N—H⋯N hydrogen bonds between the two independent molecules give rise to a hydrogen-bonded dimer. Addtional weak intermolecular N—H⋯N hydrogen bonds connect these dimers into chains along [010]. An intramolecular N—H⋯N hydrogen bond is also observed in each independent molecule. |
| format | Text |
| id | pubmed-3099861 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2011 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-30998612011-07-13 2-(1,3-Benzothiazol-2-yl)guanidine Mohamed, Shaaban Kamel El-Remaily, Mahmoud A. A. Soliman, Ahmed M. Gurbanov, Atash V. Ng, Seik Weng Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title comound, C(8)H(8)N(4)S, one of the two independent molecules is essentially planar (r.m.s. deviation = 0.025 Å), while the other is slightly buckled (r.m.s. deviation = 0.131 Å) with the guanidine unit bent out of the plane of the fused-ring system by 16.8 (1)°. In the crystal, intermolecular N—H⋯N hydrogen bonds between the two independent molecules give rise to a hydrogen-bonded dimer. Addtional weak intermolecular N—H⋯N hydrogen bonds connect these dimers into chains along [010]. An intramolecular N—H⋯N hydrogen bond is also observed in each independent molecule. International Union of Crystallography 2011-03-05 /pmc/articles/PMC3099861/ /pubmed/21754077 http://dx.doi.org/10.1107/S160053681100732X Text en © Mohamed et al. 2011 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 Mohamed, Shaaban Kamel El-Remaily, Mahmoud A. A. Soliman, Ahmed M. Gurbanov, Atash V. Ng, Seik Weng 2-(1,3-Benzothiazol-2-yl)guanidine |
| title | 2-(1,3-Benzothiazol-2-yl)guanidine |
| title_full | 2-(1,3-Benzothiazol-2-yl)guanidine |
| title_fullStr | 2-(1,3-Benzothiazol-2-yl)guanidine |
| title_full_unstemmed | 2-(1,3-Benzothiazol-2-yl)guanidine |
| title_short | 2-(1,3-Benzothiazol-2-yl)guanidine |
| title_sort | 2-(1,3-benzothiazol-2-yl)guanidine |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099861/ https://www.ncbi.nlm.nih.gov/pubmed/21754077 http://dx.doi.org/10.1107/S160053681100732X |
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