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Crystal structure of 2,3-diphenyl-2,3-dihydro-4H-1,3-benzothiazin-4-one 1-oxide
In the racemic title compound, C(20)H(15)NO(2)S, the planes of the two phenyl substituents form dihedral angles of 48.97 (15) and 69.26 (15)° with that of the fused benzene ring of the parent benzothiazine ring, while the heterocyclic thiazine ring exhibits a screw-boat pucker. The O atom on the...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5598846/ https://www.ncbi.nlm.nih.gov/pubmed/28932434 http://dx.doi.org/10.1107/S2056989017010313 |
| _version_ | 1783263982004469760 |
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| author | Yennawar, Hemant P. Fox, Ryan Moyer, Quentin J. Yang, Ziwei Silverberg, Lee J. |
| author_facet | Yennawar, Hemant P. Fox, Ryan Moyer, Quentin J. Yang, Ziwei Silverberg, Lee J. |
| author_sort | Yennawar, Hemant P. |
| collection | PubMed |
| description | In the racemic title compound, C(20)H(15)NO(2)S, the planes of the two phenyl substituents form dihedral angles of 48.97 (15) and 69.26 (15)° with that of the fused benzene ring of the parent benzothiazine ring, while the heterocyclic thiazine ring exhibits a screw-boat pucker. The O atom on the S atom of the ring is pseudo-axial on the thiazine ring and trans to the 2-phenyl group. In the crystal, molecules are arranged in layers in the ac plane, the layers being linked across b through intermolecular C—H⋯O hydrogen-bonding interactions. |
| format | Online Article Text |
| id | pubmed-5598846 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2017 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-55988462017-09-20 Crystal structure of 2,3-diphenyl-2,3-dihydro-4H-1,3-benzothiazin-4-one 1-oxide Yennawar, Hemant P. Fox, Ryan Moyer, Quentin J. Yang, Ziwei Silverberg, Lee J. Acta Crystallogr E Crystallogr Commun Research Communications In the racemic title compound, C(20)H(15)NO(2)S, the planes of the two phenyl substituents form dihedral angles of 48.97 (15) and 69.26 (15)° with that of the fused benzene ring of the parent benzothiazine ring, while the heterocyclic thiazine ring exhibits a screw-boat pucker. The O atom on the S atom of the ring is pseudo-axial on the thiazine ring and trans to the 2-phenyl group. In the crystal, molecules are arranged in layers in the ac plane, the layers being linked across b through intermolecular C—H⋯O hydrogen-bonding interactions. International Union of Crystallography 2017-07-17 /pmc/articles/PMC5598846/ /pubmed/28932434 http://dx.doi.org/10.1107/S2056989017010313 Text en © Yennawar et al. 2017 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 Yennawar, Hemant P. Fox, Ryan Moyer, Quentin J. Yang, Ziwei Silverberg, Lee J. Crystal structure of 2,3-diphenyl-2,3-dihydro-4H-1,3-benzothiazin-4-one 1-oxide |
| title | Crystal structure of 2,3-diphenyl-2,3-dihydro-4H-1,3-benzothiazin-4-one 1-oxide |
| title_full | Crystal structure of 2,3-diphenyl-2,3-dihydro-4H-1,3-benzothiazin-4-one 1-oxide |
| title_fullStr | Crystal structure of 2,3-diphenyl-2,3-dihydro-4H-1,3-benzothiazin-4-one 1-oxide |
| title_full_unstemmed | Crystal structure of 2,3-diphenyl-2,3-dihydro-4H-1,3-benzothiazin-4-one 1-oxide |
| title_short | Crystal structure of 2,3-diphenyl-2,3-dihydro-4H-1,3-benzothiazin-4-one 1-oxide |
| title_sort | crystal structure of 2,3-diphenyl-2,3-dihydro-4h-1,3-benzothiazin-4-one 1-oxide |
| topic | Research Communications |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5598846/ https://www.ncbi.nlm.nih.gov/pubmed/28932434 http://dx.doi.org/10.1107/S2056989017010313 |
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