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2-[2-(2-Chloro­phen­yl)-2-oxoeth­yl]-2,3-dihydro-1λ(6),2-benzothia­zole-1,1,3-trione

The asymmetric unit of the title compound, C(15)H(10)ClNO(4)S, contains two independent conformers wherein the 2-chloro­phenyl group in one is rotated by approximately 180° compared to the other mol­ecule. This affects the S—N—C—C(=O) and N—C—C(=O)—C torsion angles giving vlaues of −87.0 (2) and 158...

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Autores principales: Sattar, Nazia, Siddiqui, Hamid Latif, Ahmad, Naveed, Hussain, Tanvir, 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/PMC3435829/
https://www.ncbi.nlm.nih.gov/pubmed/22969675
http://dx.doi.org/10.1107/S1600536812036653
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author Sattar, Nazia
Siddiqui, Hamid Latif
Ahmad, Naveed
Hussain, Tanvir
Parvez, Masood
author_facet Sattar, Nazia
Siddiqui, Hamid Latif
Ahmad, Naveed
Hussain, Tanvir
Parvez, Masood
author_sort Sattar, Nazia
collection PubMed
description The asymmetric unit of the title compound, C(15)H(10)ClNO(4)S, contains two independent conformers wherein the 2-chloro­phenyl group in one is rotated by approximately 180° compared to the other mol­ecule. This affects the S—N—C—C(=O) and N—C—C(=O)—C torsion angles giving vlaues of −87.0 (2) and 158.7 (2)° in one mol­ecule and −104.3 (2) and −173.4 (2)° in the other. The benzisothia­zole ring systems in the two mol­ecules are essentially planar (r.m.s. deviations = 0.017 and 0.010 Å) and form dihedral angles of 73.53 (7) and 73.26 (6)° with the benzene rings. In the crystal, there are weak π–π inter­actions between the benzene rings of the benzisothia­zole groups and symmetry-related chloro­benzene rings with centroid–centroid distances of 3.6178 (13) and 3.6267 (15) Å. In addition, pairs of weak inter­molecular C—H⋯O hydrogen bonds form inversion dimers which are connected by further C—H⋯O hydrogen bonds into a three-dimensional network.
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spelling pubmed-34358292012-09-11 2-[2-(2-Chloro­phen­yl)-2-oxoeth­yl]-2,3-dihydro-1λ(6),2-benzothia­zole-1,1,3-trione Sattar, Nazia Siddiqui, Hamid Latif Ahmad, Naveed Hussain, Tanvir Parvez, Masood Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(15)H(10)ClNO(4)S, contains two independent conformers wherein the 2-chloro­phenyl group in one is rotated by approximately 180° compared to the other mol­ecule. This affects the S—N—C—C(=O) and N—C—C(=O)—C torsion angles giving vlaues of −87.0 (2) and 158.7 (2)° in one mol­ecule and −104.3 (2) and −173.4 (2)° in the other. The benzisothia­zole ring systems in the two mol­ecules are essentially planar (r.m.s. deviations = 0.017 and 0.010 Å) and form dihedral angles of 73.53 (7) and 73.26 (6)° with the benzene rings. In the crystal, there are weak π–π inter­actions between the benzene rings of the benzisothia­zole groups and symmetry-related chloro­benzene rings with centroid–centroid distances of 3.6178 (13) and 3.6267 (15) Å. In addition, pairs of weak inter­molecular C—H⋯O hydrogen bonds form inversion dimers which are connected by further C—H⋯O hydrogen bonds into a three-dimensional network. International Union of Crystallography 2012-08-31 /pmc/articles/PMC3435829/ /pubmed/22969675 http://dx.doi.org/10.1107/S1600536812036653 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
Ahmad, Naveed
Hussain, Tanvir
Parvez, Masood
2-[2-(2-Chloro­phen­yl)-2-oxoeth­yl]-2,3-dihydro-1λ(6),2-benzothia­zole-1,1,3-trione
title 2-[2-(2-Chloro­phen­yl)-2-oxoeth­yl]-2,3-dihydro-1λ(6),2-benzothia­zole-1,1,3-trione
title_full 2-[2-(2-Chloro­phen­yl)-2-oxoeth­yl]-2,3-dihydro-1λ(6),2-benzothia­zole-1,1,3-trione
title_fullStr 2-[2-(2-Chloro­phen­yl)-2-oxoeth­yl]-2,3-dihydro-1λ(6),2-benzothia­zole-1,1,3-trione
title_full_unstemmed 2-[2-(2-Chloro­phen­yl)-2-oxoeth­yl]-2,3-dihydro-1λ(6),2-benzothia­zole-1,1,3-trione
title_short 2-[2-(2-Chloro­phen­yl)-2-oxoeth­yl]-2,3-dihydro-1λ(6),2-benzothia­zole-1,1,3-trione
title_sort 2-[2-(2-chloro­phen­yl)-2-oxoeth­yl]-2,3-dihydro-1λ(6),2-benzothia­zole-1,1,3-trione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435829/
https://www.ncbi.nlm.nih.gov/pubmed/22969675
http://dx.doi.org/10.1107/S1600536812036653
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