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

The title compound, 1-(4-bromophenyl)but-3-yn-1-one, C10H7BrO, 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 center dot center dot center dot O hydrogen bonding and a short C=O center dot center dot center dot C C (acetylene) contacts. Hirshfeld surface analysis indicates that H center dot center dot center dot H, C center dot center dot center dot H/H center dot center dot center dot C and H center dot center dot center dot Br/Br center dot center dot center dot H interactions play a more important role in consolidating the crystal structure compared to H center dot center dot center dot O/O center dot center dot center dot H and C center dot center dot center dot C contacts.

Automated summary

The title compound crystallizes in monoclinic space group P2(1)/n with a planar geometry. The crystal structure is consolidated by C-H···O hydrogen bonding and a short C=O···CC (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.