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. 2004 Sep;60(Pt 9):o696-8.
doi: 10.1107/S0108270104017883. Epub 2004 Aug 21.

1-(4-Bromophenyl)-3-(4-methylphenyl)prop-2-en-1-one

Affiliations

1-(4-Bromophenyl)-3-(4-methylphenyl)prop-2-en-1-one

Lei Wang et al. Acta Crystallogr C. 2004 Sep.

Abstract

In the molecule of the title compound, C16H13BrO, the two benzene rings are rotated in opposite directions with respect to the central C-C=C-C part of the molecule. The phenone O atom deviates from the least-squares plane of the molecule by 0.300 (3) A. In the crystal structure, molecules are paired through C-H...pi interactions. The molecular pairs along [001] are hydrogen bonded through three translation-related co-operative hydrogen bonds in the 'bay area', forming molecular chains, which are further hydrogen bonded through C-H...Br weak interactions, forming (010) molecular layers. In the third direction, there are only weak van der Waals interactions. The co-operative hydrogen bonds in the 'bay area' are discussed briefly.

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