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Published on: February 24, 2015
Crystal structure of 1-(4-bromo-phen-yl)but-3-yn-1-one
Shaziyaparveen K Siddiqui1,2, C V Ramana1,2, Rajesh G Gonnade3,2
1Division of Organic Synthesis, CSIR-National Chemical Laboratory, Dr. Homi, Bhabha Road, Pashan, Pune-411008, India.
Abstract:
The title compound, 1-(4-bromo-phen-yl)but-3-yn-1-one, C10H7BrO, crystallizes in the monoclinic space group P21/n with one mol-ecule 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 (acetyl-ene) contacts. Hirshfeld surface analysis indicates that H⋯H, C⋯H/H⋯C and H⋯Br/Br⋯H inter-actions play a more important role in consolidating the crystal structure compared to H⋯O/O⋯H and C⋯C contacts.
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