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Crystal structure and Hirshfeld surface analysis of a bromo­chalcone: (E)-1-(3-bromo­phen­yl)-3-(2,6-di­chloro­phen­yl)prop-2-en-1-one

In the title chalcone derivative, C(15)H(9)BrCl(2)O, the aryl rings are inclined to each by 14.49 (17)°, and the configuration about the C=C bond is E. There is a short intra­molecular C—H⋯Cl contact present resulting in the formation of an S(6) ring motif. In the crystal, the shortest inter­molecul...

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Autores principales: Bindya, S., Chidan Kumar, C. S., Naveen, S., Siddaraju, B. P., Quah, Ching Kheng, Raihan, Md. Abu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6362637/
https://www.ncbi.nlm.nih.gov/pubmed/30800464
http://dx.doi.org/10.1107/S205698901900104X
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author Bindya, S.
Chidan Kumar, C. S.
Naveen, S.
Siddaraju, B. P.
Quah, Ching Kheng
Raihan, Md. Abu
author_facet Bindya, S.
Chidan Kumar, C. S.
Naveen, S.
Siddaraju, B. P.
Quah, Ching Kheng
Raihan, Md. Abu
author_sort Bindya, S.
collection PubMed
description In the title chalcone derivative, C(15)H(9)BrCl(2)O, the aryl rings are inclined to each by 14.49 (17)°, and the configuration about the C=C bond is E. There is a short intra­molecular C—H⋯Cl contact present resulting in the formation of an S(6) ring motif. In the crystal, the shortest inter­molecular contacts are Cl⋯O contacts [3.173 (3) Å] that link the mol­ecules to form a 2(1) helix propagating along the b-axis direction. The helices stack up the short crystallographic a axis, and are linked by offset π–π inter­actions [inter­centroid distance = 3.983 (1) Å], forming layers lying parallel to the ab plane. A qu­anti­fication of the inter­molecular contacts in the crystal were estimated using Hirshfeld surface analysis and two-dimensional fingerprint plots.
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spelling pubmed-63626372019-02-22 Crystal structure and Hirshfeld surface analysis of a bromo­chalcone: (E)-1-(3-bromo­phen­yl)-3-(2,6-di­chloro­phen­yl)prop-2-en-1-one Bindya, S. Chidan Kumar, C. S. Naveen, S. Siddaraju, B. P. Quah, Ching Kheng Raihan, Md. Abu Acta Crystallogr E Crystallogr Commun Research Communications In the title chalcone derivative, C(15)H(9)BrCl(2)O, the aryl rings are inclined to each by 14.49 (17)°, and the configuration about the C=C bond is E. There is a short intra­molecular C—H⋯Cl contact present resulting in the formation of an S(6) ring motif. In the crystal, the shortest inter­molecular contacts are Cl⋯O contacts [3.173 (3) Å] that link the mol­ecules to form a 2(1) helix propagating along the b-axis direction. The helices stack up the short crystallographic a axis, and are linked by offset π–π inter­actions [inter­centroid distance = 3.983 (1) Å], forming layers lying parallel to the ab plane. A qu­anti­fication of the inter­molecular contacts in the crystal were estimated using Hirshfeld surface analysis and two-dimensional fingerprint plots. International Union of Crystallography 2019-01-25 /pmc/articles/PMC6362637/ /pubmed/30800464 http://dx.doi.org/10.1107/S205698901900104X Text en © Bindya et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Bindya, S.
Chidan Kumar, C. S.
Naveen, S.
Siddaraju, B. P.
Quah, Ching Kheng
Raihan, Md. Abu
Crystal structure and Hirshfeld surface analysis of a bromo­chalcone: (E)-1-(3-bromo­phen­yl)-3-(2,6-di­chloro­phen­yl)prop-2-en-1-one
title Crystal structure and Hirshfeld surface analysis of a bromo­chalcone: (E)-1-(3-bromo­phen­yl)-3-(2,6-di­chloro­phen­yl)prop-2-en-1-one
title_full Crystal structure and Hirshfeld surface analysis of a bromo­chalcone: (E)-1-(3-bromo­phen­yl)-3-(2,6-di­chloro­phen­yl)prop-2-en-1-one
title_fullStr Crystal structure and Hirshfeld surface analysis of a bromo­chalcone: (E)-1-(3-bromo­phen­yl)-3-(2,6-di­chloro­phen­yl)prop-2-en-1-one
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of a bromo­chalcone: (E)-1-(3-bromo­phen­yl)-3-(2,6-di­chloro­phen­yl)prop-2-en-1-one
title_short Crystal structure and Hirshfeld surface analysis of a bromo­chalcone: (E)-1-(3-bromo­phen­yl)-3-(2,6-di­chloro­phen­yl)prop-2-en-1-one
title_sort crystal structure and hirshfeld surface analysis of a bromo­chalcone: (e)-1-(3-bromo­phen­yl)-3-(2,6-di­chloro­phen­yl)prop-2-en-1-one
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6362637/
https://www.ncbi.nlm.nih.gov/pubmed/30800464
http://dx.doi.org/10.1107/S205698901900104X
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