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Crystal structure determination, Hirshfeld surface analysis and energy frameworks of 6-phenylsulfonyl-6H-thieno[3,2-c]carbazole
In the title compound, C(20)H(13)NO(2)S(2), the carbazole ring system forms a dihedral angle of 89.08 (1)° with the sulfonyl-substituted phenyl ring. Intramolecular C—H⋯O hydrogen bonds involving the sulfone O atoms and the carbazole moiety result in two S(6) rings. In the crystal, molecules are l...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6038642/ https://www.ncbi.nlm.nih.gov/pubmed/30002878 http://dx.doi.org/10.1107/S2056989018007971 |
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| author | Mohamooda Sumaya, U. Sankar, E. Arasambattu MohanaKrishnan, K. Biruntha, K. Usha, G. |
| author_facet | Mohamooda Sumaya, U. Sankar, E. Arasambattu MohanaKrishnan, K. Biruntha, K. Usha, G. |
| author_sort | Mohamooda Sumaya, U. |
| collection | PubMed |
| description | In the title compound, C(20)H(13)NO(2)S(2), the carbazole ring system forms a dihedral angle of 89.08 (1)° with the sulfonyl-substituted phenyl ring. Intramolecular C—H⋯O hydrogen bonds involving the sulfone O atoms and the carbazole moiety result in two S(6) rings. In the crystal, molecules are linked via pairs of C—H⋯O hydrogen bonds forming inversion dimers with an R (2) (2)(12) graph-set motif. Analysis of the Hirshfeld surfaces and two-dimensional fingerprint plots was used to explore the distribution of weak intermolecular interactions in the crystal structure. |
| format | Online Article Text |
| id | pubmed-6038642 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2018 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-60386422018-07-12 Crystal structure determination, Hirshfeld surface analysis and energy frameworks of 6-phenylsulfonyl-6H-thieno[3,2-c]carbazole Mohamooda Sumaya, U. Sankar, E. Arasambattu MohanaKrishnan, K. Biruntha, K. Usha, G. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(20)H(13)NO(2)S(2), the carbazole ring system forms a dihedral angle of 89.08 (1)° with the sulfonyl-substituted phenyl ring. Intramolecular C—H⋯O hydrogen bonds involving the sulfone O atoms and the carbazole moiety result in two S(6) rings. In the crystal, molecules are linked via pairs of C—H⋯O hydrogen bonds forming inversion dimers with an R (2) (2)(12) graph-set motif. Analysis of the Hirshfeld surfaces and two-dimensional fingerprint plots was used to explore the distribution of weak intermolecular interactions in the crystal structure. International Union of Crystallography 2018-06-05 /pmc/articles/PMC6038642/ /pubmed/30002878 http://dx.doi.org/10.1107/S2056989018007971 Text en © Mohamooda Sumaya et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
| spellingShingle | Research Communications Mohamooda Sumaya, U. Sankar, E. Arasambattu MohanaKrishnan, K. Biruntha, K. Usha, G. Crystal structure determination, Hirshfeld surface analysis and energy frameworks of 6-phenylsulfonyl-6H-thieno[3,2-c]carbazole |
| title | Crystal structure determination, Hirshfeld surface analysis and energy frameworks of 6-phenylsulfonyl-6H-thieno[3,2-c]carbazole |
| title_full | Crystal structure determination, Hirshfeld surface analysis and energy frameworks of 6-phenylsulfonyl-6H-thieno[3,2-c]carbazole |
| title_fullStr | Crystal structure determination, Hirshfeld surface analysis and energy frameworks of 6-phenylsulfonyl-6H-thieno[3,2-c]carbazole |
| title_full_unstemmed | Crystal structure determination, Hirshfeld surface analysis and energy frameworks of 6-phenylsulfonyl-6H-thieno[3,2-c]carbazole |
| title_short | Crystal structure determination, Hirshfeld surface analysis and energy frameworks of 6-phenylsulfonyl-6H-thieno[3,2-c]carbazole |
| title_sort | crystal structure determination, hirshfeld surface analysis and energy frameworks of 6-phenylsulfonyl-6h-thieno[3,2-c]carbazole |
| topic | Research Communications |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6038642/ https://www.ncbi.nlm.nih.gov/pubmed/30002878 http://dx.doi.org/10.1107/S2056989018007971 |
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