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(E)-3-(3-Bromo-phen-yl)-1-(4-methyl-phenyl)prop-2-en-1-one.

ABSTRACT: The title compound, C(16)H(13)BrO, was synthesized from the reaction of 3-bromo-benzaldehyde and 4-methyl-acetophenone in the presence of KOH. The mol-ecule adopts an E configuration with respect to the C=C double bond of the propenone unit. The dihedral angle formed by the aromatic rings is 46.91?(14)°. The crystal structure is stabilized by Br?Br inter-actions [3.4549?(11)?Å].

SUBMITTER: Li H

PROVIDER: S-EPMC2959749 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

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(E)-3-(3-Bromo-phen-yl)-1-(4-methyl-phenyl)prop-2-en-1-one.

Li Hongqi H Sarojini B K BK Raj C G D CG Madhu L N LN Yathirajan H S HS

Acta crystallographica. Section E, Structure reports online 20081031 Pt 11

The title compound, C(16)H(13)BrO, was synthesized from the reaction of 3-bromo-benzaldehyde and 4-methyl-acetophenone in the presence of KOH. The mol-ecule adopts an E configuration with respect to the C=C double bond of the propenone unit. The dihedral angle formed by the aromatic rings is 46.91 (14)°. The crystal structure is stabilized by Br⋯Br inter-actions [3.4549 (11) Å]. ...[more]

PMID: 21581092

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2-Bromo-1-(4-methyl-phen-yl)-3-phenyl-prop-2-en-1-one.

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(2E)-3-(4-Bromo-phen-yl)-1-(2-methyl-4-phenyl-3-quinol-yl)prop-2-en-1-one.

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(2E)-3-(3-Bromo-4-meth-oxy-phen-yl)-1-(4-methyl-phen-yl)prop-2-en-1-one.

Project description:The overall shape of the mol-ecule of the title compound, C(17)H(15)BrO(2), can be described by the dihedral angles between three planar fragments: 1-bromo-2-meth-oxy-phenyl ring [maximum deviation = 0.003?(2)?Å], the central prop-2-en-1-one chain [maximum deviation = 0.005?(2)?Å], and the methyl-phenyl ring [maximum deviation = 0.004?(2)?Å]. The terminal planes are twisted by 10.37?(12)°, while the central plane is almost coplanar with the methyl-phenyl ring [3.30?(13)°], but the dihedral angle with the other phenyl ring is significantly larger [8.76?(16)°]. In the crystal, mol-ecules are linked into chains along [001] by three C-H?O hydrogen bonds. These chains inter-act with each other by means of weak ?-? contacts [centroid-centroid distances = 3.73?(1) and 3.44?(1)?Å]. An inter-molecular C-H?Br inter-action also occurs.

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Project description:The asymmetric unit of the title compound, C13H8Br2OS, contains two mol-ecules, in which the dihedral angles between the thio-phene and benzene rings are 10.5?(3) and 33.2?(4)°. There are no significant directional inter-actions in the crystal.

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