Cargando…
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...
Autores principales: | , , , , |
---|---|
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 |
_version_ | 1782242597007261696 |
---|---|
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. |
format | Online Article Text |
id | pubmed-3435829 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT sattarnazia 222chlorophenyl2oxoethyl23dihydro1l62benzothiazole113trione AT siddiquihamidlatif 222chlorophenyl2oxoethyl23dihydro1l62benzothiazole113trione AT ahmadnaveed 222chlorophenyl2oxoethyl23dihydro1l62benzothiazole113trione AT hussaintanvir 222chlorophenyl2oxoethyl23dihydro1l62benzothiazole113trione AT parvezmasood 222chlorophenyl2oxoethyl23dihydro1l62benzothiazole113trione |