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6-Bromo-4-[2-(4-fluorobenzylidene)hydrazin-1-ylidene]-1-methyl-3,4-dihydro-1H-2λ(6),1-benzothiazine-2,2-dione
In the title compound, C(16)H(13)BrFN(3)O(2)S, the dihedral angle between the aromatic rings is 2.55 (19)° and the C=N—N=C torsion angle is 178.9 (3)°. The conformation of the thiazine ring is an envelope, with the S atom displaced by −0.811 (3) Å from the mean plane of the other five atoms (r.m.s....
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470210/ https://www.ncbi.nlm.nih.gov/pubmed/23125654 http://dx.doi.org/10.1107/S1600536812037403 |
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author | Shafiq, Muhammad Khan, Islam Ullah Harrison, William T. A. Hussain, Ajaz Ashraf, Hina |
author_facet | Shafiq, Muhammad Khan, Islam Ullah Harrison, William T. A. Hussain, Ajaz Ashraf, Hina |
author_sort | Shafiq, Muhammad |
collection | PubMed |
description | In the title compound, C(16)H(13)BrFN(3)O(2)S, the dihedral angle between the aromatic rings is 2.55 (19)° and the C=N—N=C torsion angle is 178.9 (3)°. The conformation of the thiazine ring is an envelope, with the S atom displaced by −0.811 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.042 Å). In the crystal, C—H⋯O interactions link the molecules and weak aromatic π–π stacking between the fluorobenzene and bromobenzene rings [centroid–centroid separation = 3.720 (2) Å and interplanar angle = 2.6 (2)°] is also observed. |
format | Online Article Text |
id | pubmed-3470210 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-34702102012-11-02 6-Bromo-4-[2-(4-fluorobenzylidene)hydrazin-1-ylidene]-1-methyl-3,4-dihydro-1H-2λ(6),1-benzothiazine-2,2-dione Shafiq, Muhammad Khan, Islam Ullah Harrison, William T. A. Hussain, Ajaz Ashraf, Hina Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(13)BrFN(3)O(2)S, the dihedral angle between the aromatic rings is 2.55 (19)° and the C=N—N=C torsion angle is 178.9 (3)°. The conformation of the thiazine ring is an envelope, with the S atom displaced by −0.811 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.042 Å). In the crystal, C—H⋯O interactions link the molecules and weak aromatic π–π stacking between the fluorobenzene and bromobenzene rings [centroid–centroid separation = 3.720 (2) Å and interplanar angle = 2.6 (2)°] is also observed. International Union of Crystallography 2012-09-05 /pmc/articles/PMC3470210/ /pubmed/23125654 http://dx.doi.org/10.1107/S1600536812037403 Text en © Shafiq et al. 2012 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 Shafiq, Muhammad Khan, Islam Ullah Harrison, William T. A. Hussain, Ajaz Ashraf, Hina 6-Bromo-4-[2-(4-fluorobenzylidene)hydrazin-1-ylidene]-1-methyl-3,4-dihydro-1H-2λ(6),1-benzothiazine-2,2-dione |
title | 6-Bromo-4-[2-(4-fluorobenzylidene)hydrazin-1-ylidene]-1-methyl-3,4-dihydro-1H-2λ(6),1-benzothiazine-2,2-dione |
title_full | 6-Bromo-4-[2-(4-fluorobenzylidene)hydrazin-1-ylidene]-1-methyl-3,4-dihydro-1H-2λ(6),1-benzothiazine-2,2-dione |
title_fullStr | 6-Bromo-4-[2-(4-fluorobenzylidene)hydrazin-1-ylidene]-1-methyl-3,4-dihydro-1H-2λ(6),1-benzothiazine-2,2-dione |
title_full_unstemmed | 6-Bromo-4-[2-(4-fluorobenzylidene)hydrazin-1-ylidene]-1-methyl-3,4-dihydro-1H-2λ(6),1-benzothiazine-2,2-dione |
title_short | 6-Bromo-4-[2-(4-fluorobenzylidene)hydrazin-1-ylidene]-1-methyl-3,4-dihydro-1H-2λ(6),1-benzothiazine-2,2-dione |
title_sort | 6-bromo-4-[2-(4-fluorobenzylidene)hydrazin-1-ylidene]-1-methyl-3,4-dihydro-1h-2λ(6),1-benzothiazine-2,2-dione |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470210/ https://www.ncbi.nlm.nih.gov/pubmed/23125654 http://dx.doi.org/10.1107/S1600536812037403 |
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