Topochemistry. Part XXXIV. Crystal and molecular structure of p′-bromochalcone
- 1 January 1973
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Perkin Transactions 2
- No. 1,p. 33-37
- https://doi.org/10.1039/p29730000033
Abstract
The crystal structure of p′-bromochalcone has been solved from partial three-dimensional photographic data by the heavy-atom technique, and refined by a least-squares programme to R′ 0·03 and R 0·08. Crystals are monoclinic, space group P21/c with Z= 8 in a unit cell of dimensions: a= 15·10(1), b= 5·90(1), c= 31·13(2)Å, β= 108·6(1)°. Bond lengths and angles in the two molecules of the asymmetric unit, which agree within their estimated standard deviations of 0·02 Å and 1·0°, are similar to those observed in other chalcones. Both molecules are non-planar, the angles between the planes of the two phenyl groups being 50°. The molecules pack in stacks along [010] with the bromine atoms spiralling along the 21 axes.Keywords
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