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(2E)-1-(2-Bromo-phen-yl)-3-(3,4,5-trimeth-oxy-phen-yl)prop-2-en-1-one.

ABSTRACT: In the chalcone title compound, C(18)H(17)BrO(4), the dihedral angle between the mean planes of the 2-bromo- and 3,4,5-trimethoxy-substituted benzene rings is 89.3?(1)°. The angles between the mean plane of the prop-2-en-1-one group and the 2-bromo-phenyl and 3,4,5-trimeth-oxy-phenyl ring planes are 59.7?(1) and 40.5?(8)°, respectively. While no classical hydrogen bonds are present, three weak inter-molecular C-H?O inter-actions and weak C-H?Br and C-H?Cg ?-ring stacking inter-actions [C-H?Cg distance = 3.377?(2)?Å] are observed, which contribute to the stability of crystal packing.

SUBMITTER: Jasinski JP

PROVIDER: S-EPMC3006788 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature

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(2E)-1-(2-Bromo-phen-yl)-3-(3,4,5-trimeth-oxy-phen-yl)prop-2-en-1-one.

Jasinski Jerry P JP Butcher Ray J RJ Veena K K Narayana B B Yathirajan H S HS

Acta crystallographica. Section E, Structure reports online 20100616 Pt 7

In the chalcone title compound, C(18)H(17)BrO(4), the dihedral angle between the mean planes of the 2-bromo- and 3,4,5-trimethoxy-substituted benzene rings is 89.3 (1)°. The angles between the mean plane of the prop-2-en-1-one group and the 2-bromo-phenyl and 3,4,5-trimeth-oxy-phenyl ring planes are 59.7 (1) and 40.5 (8)°, respectively. While no classical hydrogen bonds are present, three weak inter-molecular C-H⋯O inter-actions and weak C-H⋯Br and C-H⋯Cg π-ring stacking inter-actions [C-H⋯Cg di ...[more]

PMID: 21587901

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