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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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Detalles Bibliográficos
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
Descripción
Sumario: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.