Crystal structure of 1-(4-bromo­phen­yl)but-3-yn-1-one

The title compound, 1-(4-bromo­phen­yl)but-3-yn-1-one, C(10)H(7)BrO, crystallizes in the monoclinic space group P2(1)/n with one mol­ecule in the asymmetric unit. The structure displays a planar geometry. The crystal structure is consolidated by C—H⋯O hydrogen bonding and a short C=O⋯C≡C (acetyl­ene...

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Detalles Bibliográficos
Autores principales: Siddiqui, Shaziyaparveen K., Ramana, C. V., Gonnade, Rajesh G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10439427/
https://www.ncbi.nlm.nih.gov/pubmed/37601573
http://dx.doi.org/10.1107/S205698902300508X
Descripción
Sumario:The title compound, 1-(4-bromo­phen­yl)but-3-yn-1-one, C(10)H(7)BrO, crystallizes in the monoclinic space group P2(1)/n with one mol­ecule in the asymmetric unit. The structure displays a planar geometry. The crystal structure is consolidated by C—H⋯O hydrogen bonding and a short C=O⋯C≡C (acetyl­ene) contacts. Hirshfeld surface analysis indicates that H⋯H, C⋯H/H⋯C and H⋯Br/Br⋯H inter­actions play a more important role in consolidating the crystal structure compared to H⋯O/O⋯H and C⋯C contacts.

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