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1-(4-Bromo-phen-yl)-3-(3,4-dimethyl-phen-yl)prop-2-en-1-one.

ABSTRACT: In the title chalcone derivative, C(17)H(15)BrO, the dihedral angle between the two benzene rings is 48.13?(4)°. In the crystal, a short Br?Br contact of 3.5052?(10)?Å occurs.

SUBMITTER: Zhou YX

PROVIDER: S-EPMC2979457 | biostudies-literature | 2010

REPOSITORIES: biostudies-literature

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1-(4-Bromo-phen-yl)-3-(3,4-dimethyl-phen-yl)prop-2-en-1-one.

Zhou Yu-Xia YX

Acta crystallographica. Section E, Structure reports online 20100522 Pt 6

In the title chalcone derivative, C(17)H(15)BrO, the dihedral angle between the two benzene rings is 48.13 (4)°. In the crystal, a short Br⋯Br contact of 3.5052 (10) Å occurs. ...[more]

PMID: 21579491

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1-(4-Chloro-phen-yl)-3-(3,4-dimethyl-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(17)H(15)ClO, was prepared from 3,4-dimethyl-benzaldehyde and 4-chloro-hypnone by Aldol condensation. The dihedral angle formed by the two benzene rings is 48.91 (8)°. Only van der Waals forces affect the packing.

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Project description:The mol-ecule of the title compound, C(15)H(9)BrCl(2)O, is shown to be the E isomer, with the 3,4-dichloro-benzoyl and p-bromo-phenyl substituents in trans positions with respect to the chalcone olefin bond. The mol-ecule is non-planar, the two aromatic rings forming a dihedral angle of 49.58 (1)°.

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Project description:The mol-ecular structure of the title compound, C(17)H(15)BrO(3), consists of a bromo-phenyl and a 3,4-dimeth-oxy-phenyl group linked through a prop-2-en-1-one spacer. The C=C double bond displays an E conformation, while the carbonyl group shows an S-cis conformation relative to the double bond.

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(2E)-3-(3,4-Dimeth-oxy-phen-yl)-1-(2,5-dimethyl-thio-phen-3-yl)prop-2-en-1-one.

Project description:The mol-ecule of the title compound, C(17)H(18)O(3)S, is essentially planar: the phenyl and thio-phene rings form a dihedral angle of 2.79?(10)° and they are inclined to the central propenone unit by 6.20?(15) and 4.78?(15)°, respectively. In the crystal, mol-ecules are connected into dimers via pairs of C-H?O inter-actions, generating R(2) (2)(14) motifs. ?-? stacking inter-actions between the thio-phene rings also occur, with a centroid-centroid distance of 3.8062?(12)?Å.

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

Project description:The title compound, C(15)H(10)Br(2)O, is a chalcone with 2-bromo-phenyl and 4-bromo-phenyl rings bonded to opposite sides of a propenone group. The dihedral angle between mean planes of the benzene rings is 71.3 (1)°. The angle between the mean plane of the prop-2-ene-1-one group and the mean planes of the 2-bromo-phenyl and 4-bromo-phenyl rings are 64.2 (9) and 71.3 (1)°, respectively. A weak inter-molecular C-H⋯O inter-action and two weak C-Br⋯π inter-actions are observed, which contribute to the stability of the crystal packing.

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Crystal structures of (2E)-1-(3-bromo-thio-phen-2-yl)-3-(2-meth-oxy-phen-yl)prop-2-en-1-one and (2E)-1-(3-bromo-thio-phen-2-yl)-3-(3,4-di-meth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the mol-ecules of the title compounds, (2E)-1-(3-bromo-thio-phen-2-yl)-3-(2-meth-oxy-phen-yl)prop-2-en-1-one, C14H11BrO2S, (I), which crystallizes in the space group P-1 with four independent mol-ecules in the asymmetric unit (Z' = 8), and (2E)-1-(3-bromo-thio-phen-2-yl)-3-(3,4-di-meth-oxy-phen-yl)prop-2-en-1-one, C15H13BrO3S, (II), which crystallizes with Z' = 8 in the space group I2/a, the non-H atoms are nearly coplanar. The mol-ecules of (I) pack with inversion symmetry stacked diagonally along the a-axis direction. Weak C-H?Br intra-molecular inter-actions in each of the four mol-ecules in the asymmetric unit are observed. In (II), weak C-H?O, bifurcated three-center inter-molecular inter-actions forming dimers along with weak C-H?? and ?-? stacking inter-actions are observed, linking the mol-ecules into sheets along [001]. A weak C-H?Br intra-molecular inter-action is also present. There are no classical hydrogen bonds present in either structure.

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