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Methyl (2Z)-2-bromo-meth-yl-3-(3-chloro-phen-yl)prop-2-enoate.

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

SUBMITTER: Swaminathan K

PROVIDER: S-EPMC3684935 | biostudies-literature | 2013 Jun

REPOSITORIES: biostudies-literature

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Methyl (2Z)-2-bromo-meth-yl-3-(3-chloro-phen-yl)prop-2-enoate.

Swaminathan K K Sethusankar K K Selvakumar Raman R Bakthadoss Manickam M

Acta crystallographica. Section E, Structure reports online 20130511 Pt 6

There are two independent mol-ecules (A and B) in the asymmetric unit of the title compound C11H10BrClO2, which represents the Z isomer. The methyl-acrylate moieties are essentially planar, within 0.084 (2) and 0.027 (5) Å in mol-ecules A and B, respectively. The benzene ring makes dihedral angles of 13.17 (7) and 27.89 (9)° with the methyl-acrylate moiety in mol-ecules A and B, respectively. The methyl-bromide moiety is almost orthogonal to the benzene ring, making dihedral angles of 81.46 (16) ...[more]

PMID: 23795037

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