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

Abstract

The title compound, 1-(4-bromophenyl)but-3-yn-1-one, C10H7BrO, crystallizes in the monoclinic space group P21/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[triple-bond]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.

Keywords

• crystal structure
• intermolecular interactions
• hirshfeld surface analysis