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2-[2-(2-Bromophenyl)-2-oxoethyl]-1λ(6),2-benzothiazole-1,1,3-trione
The asymmetric unit of the title compound, C(15)H(10)BrNO(4)S, contains two different conformers in which the benzisothiazole rings are essentially planar, with r.m.s. deviations of 0.012 and 0.017 Å. The mean planes of the benzene rings form dihedral angles 70.49 (13) and 72.79 (11)° with the benz...
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/PMC3379449/ https://www.ncbi.nlm.nih.gov/pubmed/22719647 http://dx.doi.org/10.1107/S1600536812022428 |
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author | Sattar, Nazia Siddiqui, Hamid Latif Siddiqui, Waseeq Ahmad Akram, Muhammad Parvez, Masood |
author_facet | Sattar, Nazia Siddiqui, Hamid Latif Siddiqui, Waseeq Ahmad Akram, Muhammad Parvez, Masood |
author_sort | Sattar, Nazia |
collection | PubMed |
description | The asymmetric unit of the title compound, C(15)H(10)BrNO(4)S, contains two different conformers in which the benzisothiazole rings are essentially planar, with r.m.s. deviations of 0.012 and 0.017 Å. The mean planes of the benzene rings form dihedral angles 70.49 (13) and 72.79 (11)° with the benzisothiazole rings. The orientation of the Br atoms in the two conformers exhibit the most pronounced difference, with opposing orientations in the two molecules. The crystal structure is stabilized by π–π interactions between the benzene rings of the benzisothiazole moieties of one molecule and bromobenzene rings of the other molecule, with distances between the ring centroids of 3.599 (3) and 3.620 (3) Å, respectively. The crystal packing is further consolidated by pairs of weak intermolecular C—H⋯O hydrogen bonds, which form inversion dimers. |
format | Online Article Text |
id | pubmed-3379449 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33794492012-06-20 2-[2-(2-Bromophenyl)-2-oxoethyl]-1λ(6),2-benzothiazole-1,1,3-trione Sattar, Nazia Siddiqui, Hamid Latif Siddiqui, Waseeq Ahmad Akram, Muhammad Parvez, Masood Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(15)H(10)BrNO(4)S, contains two different conformers in which the benzisothiazole rings are essentially planar, with r.m.s. deviations of 0.012 and 0.017 Å. The mean planes of the benzene rings form dihedral angles 70.49 (13) and 72.79 (11)° with the benzisothiazole rings. The orientation of the Br atoms in the two conformers exhibit the most pronounced difference, with opposing orientations in the two molecules. The crystal structure is stabilized by π–π interactions between the benzene rings of the benzisothiazole moieties of one molecule and bromobenzene rings of the other molecule, with distances between the ring centroids of 3.599 (3) and 3.620 (3) Å, respectively. The crystal packing is further consolidated by pairs of weak intermolecular C—H⋯O hydrogen bonds, which form inversion dimers. International Union of Crystallography 2012-05-26 /pmc/articles/PMC3379449/ /pubmed/22719647 http://dx.doi.org/10.1107/S1600536812022428 Text en © Sattar 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 Sattar, Nazia Siddiqui, Hamid Latif Siddiqui, Waseeq Ahmad Akram, Muhammad Parvez, Masood 2-[2-(2-Bromophenyl)-2-oxoethyl]-1λ(6),2-benzothiazole-1,1,3-trione |
title | 2-[2-(2-Bromophenyl)-2-oxoethyl]-1λ(6),2-benzothiazole-1,1,3-trione |
title_full | 2-[2-(2-Bromophenyl)-2-oxoethyl]-1λ(6),2-benzothiazole-1,1,3-trione |
title_fullStr | 2-[2-(2-Bromophenyl)-2-oxoethyl]-1λ(6),2-benzothiazole-1,1,3-trione |
title_full_unstemmed | 2-[2-(2-Bromophenyl)-2-oxoethyl]-1λ(6),2-benzothiazole-1,1,3-trione |
title_short | 2-[2-(2-Bromophenyl)-2-oxoethyl]-1λ(6),2-benzothiazole-1,1,3-trione |
title_sort | 2-[2-(2-bromophenyl)-2-oxoethyl]-1λ(6),2-benzothiazole-1,1,3-trione |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379449/ https://www.ncbi.nlm.nih.gov/pubmed/22719647 http://dx.doi.org/10.1107/S1600536812022428 |
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