Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 6 (June 2013)


organic compounds



ld2100 scheme

Acta Cryst. (2013). E69, o852    [ doi:10.1107/S1600536813012117 ]

Methyl (2Z)-2-bromomethyl-3-(3-chlorophenyl)prop-2-enoate

K. Swaminathan, K. Sethusankar, R. Selvakumar and M. Bakthadoss

Abstract: There are two independent molecules (A and B) in the asymmetric unit of the title compound C11H10BrClO2, which represents the Z isomer. The methylacrylate moieties are essentially planar, within 0.084 (2) and 0.027 (5) Å in molecules A and B, respectively. The benzene ring makes dihedral angles of 13.17 (7) and 27.89 (9)° with the methylacrylate moiety in molecules A and B, respectively. The methylbromide moiety is almost orthogonal to the benzene ring, making dihedral angles of 81.46 (16)° in molecule A and 79.61 (16)° in molecule B. The methylacrylate moiety exhibits an extended trans conformation in both molecules. In the crystal, pairs of C-H...O hydrogen bonds result in the formation of quasi-centrosymmetric R22(14) AB dimers.


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