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X-ray structure analysis of 1-(4-bromophenyl)-3-(4-chlorophenyl)-prop-2-en-1-one

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The title compound crystallizes in the monoclinic space group P21/c with unit cell parameters a = 15.6239(15) Å, b = 14.0537(14) Å, c = 5.8396(5) Å, β = 92.666(3)°, V = 1280.8 (2) Å3, and Z = 4. The final reliability index is 0.0538 for 2921 observed reflections. Two phenyl rings of the title molecule are not coplanar, with a dihedral angle of 46.3(0)°. The molecular planarity of this substituted chalcone is strongly affected by the 4′-bromo group. The crystal cohesion is accentuated by π···π, C–H···Br interactions and R3 1 (11) hydrogen bond.

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Authors and Affiliations

  1. College of Chemistry & Chemical Engineering, Suzhou University, Suzhou, 215006, P.R. China

    Wen Yang, Lei Wang & Dechun Zhang

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  1. Wen Yang
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  2. Lei Wang
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  3. Dechun Zhang
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Correspondence to Dechun Zhang.

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Supplementary material

CCDC 277112 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge via http://www.ccdc.cam.ac.uk/data request_cif, by emailing data_request@ccdc.cam.ac.uk, or by contacting The Cambridge Crystallographic Data Centre, 12, Union Road, Cambridge CB21EZ, UK; Fax: +44 1223 336033.

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Yang, W., Wang, L. & Zhang, D. X-ray structure analysis of 1-(4-bromophenyl)-3-(4-chlorophenyl)-prop-2-en-1-one. J Chem Crystallogr 36, 195–198 (2006). https://doi.org/10.1007/s10870-005-9046-4

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  • DOI: https://doi.org/10.1007/s10870-005-9046-4

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