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...

Descripción completa

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
_version_ 1785092942283669504
author Siddiqui, Shaziyaparveen K.
Ramana, C. V.
Gonnade, Rajesh G.
author_facet Siddiqui, Shaziyaparveen K.
Ramana, C. V.
Gonnade, Rajesh G.
author_sort Siddiqui, Shaziyaparveen K.
collection PubMed
description 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.
format Online
Article
Text
id pubmed-10439427
institution National Center for Biotechnology Information
language English
publishDate 2023
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-104394272023-08-20 Crystal structure of 1-(4-bromo­phen­yl)but-3-yn-1-one Siddiqui, Shaziyaparveen K. Ramana, C. V. Gonnade, Rajesh G. Acta Crystallogr E Crystallogr Commun Research Communications 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. International Union of Crystallography 2023-06-13 /pmc/articles/PMC10439427/ /pubmed/37601573 http://dx.doi.org/10.1107/S205698902300508X Text en © Siddiqui et al. 2023 https://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.
spellingShingle Research Communications
Siddiqui, Shaziyaparveen K.
Ramana, C. V.
Gonnade, Rajesh G.
Crystal structure of 1-(4-bromo­phen­yl)but-3-yn-1-one
title Crystal structure of 1-(4-bromo­phen­yl)but-3-yn-1-one
title_full Crystal structure of 1-(4-bromo­phen­yl)but-3-yn-1-one
title_fullStr Crystal structure of 1-(4-bromo­phen­yl)but-3-yn-1-one
title_full_unstemmed Crystal structure of 1-(4-bromo­phen­yl)but-3-yn-1-one
title_short Crystal structure of 1-(4-bromo­phen­yl)but-3-yn-1-one
title_sort crystal structure of 1-(4-bromo­phen­yl)but-3-yn-1-one
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10439427/
https://www.ncbi.nlm.nih.gov/pubmed/37601573
http://dx.doi.org/10.1107/S205698902300508X
work_keys_str_mv AT siddiquishaziyaparveenk crystalstructureof14bromophenylbut3yn1one
AT ramanacv crystalstructureof14bromophenylbut3yn1one
AT gonnaderajeshg crystalstructureof14bromophenylbut3yn1one

Ejemplares similares