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(Z)-2,3-Dichloro-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione
The title compound, C(16)H(8)Cl(4)O(2), crystallizes with two independent molecules in the asymmetric unit. Both molecules have a Z conformation around the central double bond and they show significantly different C—C—C—O torsion angles between the aromatic ring and the carbonyl group [30.1 (7) an...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158494/ https://www.ncbi.nlm.nih.gov/pubmed/25249911 http://dx.doi.org/10.1107/S1600536814015463 |
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author | Tittal, Ram K. Kumar, Satish Ram, R. N. |
author_facet | Tittal, Ram K. Kumar, Satish Ram, R. N. |
author_sort | Tittal, Ram K. |
collection | PubMed |
description | The title compound, C(16)H(8)Cl(4)O(2), crystallizes with two independent molecules in the asymmetric unit. Both molecules have a Z conformation around the central double bond and they show significantly different C—C—C—O torsion angles between the aromatic ring and the carbonyl group [30.1 (7) and 3.9 (7)° in one molecule and 23.5 (7) and 9.3 (8)° in the other]. The crystal packing shows short halogen Cl⋯O [3.003 (5) and 3.246 (4) Å] and Cl⋯Cl [3.452 (2) Å] contacts and aromatic C—H⋯Cl and C—H⋯O interactions link the molecules, resulting in chains propogating along [100]. The crystal structure also features π–π stacking interactions between aromatic units of the two independent molecules, with a centroid–centroid distance of 3.9264 (6) Å. |
format | Online Article Text |
id | pubmed-4158494 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-41584942014-09-23 (Z)-2,3-Dichloro-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione Tittal, Ram K. Kumar, Satish Ram, R. N. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(16)H(8)Cl(4)O(2), crystallizes with two independent molecules in the asymmetric unit. Both molecules have a Z conformation around the central double bond and they show significantly different C—C—C—O torsion angles between the aromatic ring and the carbonyl group [30.1 (7) and 3.9 (7)° in one molecule and 23.5 (7) and 9.3 (8)° in the other]. The crystal packing shows short halogen Cl⋯O [3.003 (5) and 3.246 (4) Å] and Cl⋯Cl [3.452 (2) Å] contacts and aromatic C—H⋯Cl and C—H⋯O interactions link the molecules, resulting in chains propogating along [100]. The crystal structure also features π–π stacking interactions between aromatic units of the two independent molecules, with a centroid–centroid distance of 3.9264 (6) Å. International Union of Crystallography 2014-07-11 /pmc/articles/PMC4158494/ /pubmed/25249911 http://dx.doi.org/10.1107/S1600536814015463 Text en © Tittal et al. 2014 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 Tittal, Ram K. Kumar, Satish Ram, R. N. (Z)-2,3-Dichloro-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione |
title | (Z)-2,3-Dichloro-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione |
title_full | (Z)-2,3-Dichloro-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione |
title_fullStr | (Z)-2,3-Dichloro-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione |
title_full_unstemmed | (Z)-2,3-Dichloro-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione |
title_short | (Z)-2,3-Dichloro-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione |
title_sort | (z)-2,3-dichloro-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158494/ https://www.ncbi.nlm.nih.gov/pubmed/25249911 http://dx.doi.org/10.1107/S1600536814015463 |
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