2,3-Dibromo-3-(4-chloro­phen­yl)-1-(4-nitro­thio­phen-2-yl)propan-1-one

The title compound, C(13)H(8)Br(2)ClNO(3)S, exhibits whole-mol­ecule disorder over two orientations in a 0.805 (6):0.195 (6) ratio. The dihedral angles between the thio­phene ring [maximum deviations = 0.017 (4) and 0.033 (9) Å for the major and minor components, respectively] and the chloro-substit...

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Autores principales: Fun, Hoong-Kun, Arshad, Suhana, Shetty, Shobhitha, Kalluraya, Balakrishna, Babu, M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435703/
https://www.ncbi.nlm.nih.gov/pubmed/22969574
http://dx.doi.org/10.1107/S1600536812034551
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author Fun, Hoong-Kun
Arshad, Suhana
Shetty, Shobhitha
Kalluraya, Balakrishna
Babu, M.
author_facet Fun, Hoong-Kun
Arshad, Suhana
Shetty, Shobhitha
Kalluraya, Balakrishna
Babu, M.
author_sort Fun, Hoong-Kun
collection PubMed
description The title compound, C(13)H(8)Br(2)ClNO(3)S, exhibits whole-mol­ecule disorder over two orientations in a 0.805 (6):0.195 (6) ratio. The dihedral angles between the thio­phene ring [maximum deviations = 0.017 (4) and 0.033 (9) Å for the major and minor components, respectively] and the chloro-substituted phenyl ring are 32.1 (5) (major component) and 26.3 (18)° (minor component). In the crystal, C—H⋯Cl and C—H⋯O hydrogen bonds link the mol­ecules into sheets lying parallel to the bc plane. Aromatic π–π stacking inter­actions [centroid–centroid distance = 3.550 (7) Å] are also observed.
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spelling pubmed-34357032012-09-11 2,3-Dibromo-3-(4-chloro­phen­yl)-1-(4-nitro­thio­phen-2-yl)propan-1-one Fun, Hoong-Kun Arshad, Suhana Shetty, Shobhitha Kalluraya, Balakrishna Babu, M. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(13)H(8)Br(2)ClNO(3)S, exhibits whole-mol­ecule disorder over two orientations in a 0.805 (6):0.195 (6) ratio. The dihedral angles between the thio­phene ring [maximum deviations = 0.017 (4) and 0.033 (9) Å for the major and minor components, respectively] and the chloro-substituted phenyl ring are 32.1 (5) (major component) and 26.3 (18)° (minor component). In the crystal, C—H⋯Cl and C—H⋯O hydrogen bonds link the mol­ecules into sheets lying parallel to the bc plane. Aromatic π–π stacking inter­actions [centroid–centroid distance = 3.550 (7) Å] are also observed. International Union of Crystallography 2012-08-11 /pmc/articles/PMC3435703/ /pubmed/22969574 http://dx.doi.org/10.1107/S1600536812034551 Text en © Fun 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
Fun, Hoong-Kun
Arshad, Suhana
Shetty, Shobhitha
Kalluraya, Balakrishna
Babu, M.
2,3-Dibromo-3-(4-chloro­phen­yl)-1-(4-nitro­thio­phen-2-yl)propan-1-one
title 2,3-Dibromo-3-(4-chloro­phen­yl)-1-(4-nitro­thio­phen-2-yl)propan-1-one
title_full 2,3-Dibromo-3-(4-chloro­phen­yl)-1-(4-nitro­thio­phen-2-yl)propan-1-one
title_fullStr 2,3-Dibromo-3-(4-chloro­phen­yl)-1-(4-nitro­thio­phen-2-yl)propan-1-one
title_full_unstemmed 2,3-Dibromo-3-(4-chloro­phen­yl)-1-(4-nitro­thio­phen-2-yl)propan-1-one
title_short 2,3-Dibromo-3-(4-chloro­phen­yl)-1-(4-nitro­thio­phen-2-yl)propan-1-one
title_sort 2,3-dibromo-3-(4-chloro­phen­yl)-1-(4-nitro­thio­phen-2-yl)propan-1-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435703/
https://www.ncbi.nlm.nih.gov/pubmed/22969574
http://dx.doi.org/10.1107/S1600536812034551
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