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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...

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Autores principales: Sattar, Nazia, Siddiqui, Hamid Latif, Siddiqui, Waseeq Ahmad, Akram, Muhammad, Parvez, Masood
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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.
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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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