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

ABSTRACT: 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.

SUBMITTER: Escobar CA

PROVIDER: S-EPMC3297934 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature

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

Escobar Carlos A CA Trujillo Alexander A Howard Judith A K JA Fuentealba Mauricio M

Acta crystallographica. Section E, Structure reports online 20120229 Pt 3

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. ...[more]

PMID: 22412737

Similar Datasets

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

Project description:The crystal structure of the title compound, C(17)H(15)BrO(3), a chalcone derivative, exhibits two crystallographically independent mol-ecules per asymmetric unit showing an E conformation about the ethyl-ene double bond. In each mol-ecule, the two phenyl rings are almost coplanar: the mean planes make dihedral angles of 9.3 (2) and 19.4 (2)°. In the crystal, mol-ecules are linked through weak inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC3297847 | biostudies-literature

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

Project description:The title compound, C(19)H(20)O(5), is approximately planar; the dihedral angle between the benzene rings is 3.82 (8)°, and the central propenone C(=O)-C=C plane makes dihedral angles of 1.95 (10) and 3.17 (11)° with the two benzene rings. In the crystal structure, intra- and inter-molecular C-H⋯O hydrogen bonds are observed.

| S-EPMC3009186 | biostudies-literature

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

Project description:The title compound, C(17)H(15)BrO(3), is a chalcone with the 2-bromo-phenyl and 2,5-dimeth-oxy-phenyl rings bonded at opposite ends of a propene group. The dihedral angle between the mean planes of the ortho-bromo and ortho,meta-dimeth-oxy-substituted benzene rings is 77.3 (1)°. The dihedral angles between the mean plane of the prop-2-ene-1-one group and the mean planes of the 2-bromo-phenyl and 2,5-dimeth-oxy-phenyl rings are 58.6 (1) and 30.7 (4)°, respectively. Weak C-H⋯O, C-H⋯Br and π-π stacking inter-molecular inter-actions [centroid-centroid distance = 3.650 (2) Å] are present in the structure.

| S-EPMC3007330 | biostudies-literature

(2E)-3-(3,4-Dimeth-oxy-phen-yl)-1-(4-hy-droxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(17)H(16)O(4), the dihedral angle between the mean planes of the hy-droxy-phenyl and dimeth-oxy-phenyl rings is 19.34 (7)°. The mean plane of the prop-2-en-1-one group, the active site in this mol-ecule, makes angles of 7.40 (8) and 13.25 (8)°, respectively, with the hy-droxy-phenyl and dimeth-oxy-phenyl rings. The crystal packing is stabilized by O-H⋯O hydrogen bonds, weak inter-molecular C-H⋯O and π-π stacking inter-actions [centroid-centroid distance = 3.7386 (9) Å].

| S-EPMC3099842 | biostudies-literature

(E)-3-(3,4-Dimeth-oxy-phen-yl)-1-(2-hy-droxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(17)H(16)O(4), the dihedral angle between the mean planes of the hy-droxy-phenyl and dimeth-oxy-phenyl rings is 5.9 (6)°. The mean plane of the prop-2-en-1-one group makes dihedral angles of 3.6 (0) and 2.6 (7)° with the hy-droxy-phenyl and dimeth-oxy-phenyl rings, respectively. An intra-molecular O-H⋯O hydrogen bond occurs. The crystal packing is stabilized by weak inter-molecular C-H⋯O contacts and π-π stacking inter-actions [centroid-centroid distance = 3.6571 (8) Å].

| S-EPMC3099868 | biostudies-literature

(E)-1-(3,4-Dimeth-oxy-phen-yl)-3-[4-(methyl-sulfan-yl)phen-yl]prop-2-en-1-one.

Project description:In the title compound, C(18)H(18)O(3)S, the C=C double bond exists in an E configuration and the dihedral angle between the two benzene rings is 11.74 (8)°. In the crystal, mol-ecules are linked into a three-dimensional network by C-H⋯O hydrogen bonds. The crystal structure is also stabilized by weak C-H⋯π inter-actions.

| S-EPMC3200737 | biostudies-literature

(Z)-3-(3,4-Dimeth-oxy-phen-yl)-3-(4-fluoro-phen-yl)-1-morpholino-prop-2-en-1-one.

Project description:The title compound, C(21)H(22)FNO(4), is an isomer of flumorph (systematic name 4-[3-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-1-oxo-2-propenyl]morpholine), which was developed by Shenyang research institute of chemical industry and used as fungicide. The mol-ecule adopts a Z configuration about the C=C double bond. The dihedral angle between the two benzene rings is 73.45 (11)°.

| S-EPMC3151755 | biostudies-literature

(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.

| S-EPMC3007254 | biostudies-literature

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

Project description:In the title compound, C(17)H(14)BrNO(5), the dihedral angle between the 3-bromo-substituted benzene ring and the 4,5-dimeth-oxy-2-nitro-phenyl ring is 15.2 (1)°. The dihedral angles between the mean plane of the propenone group and the mean planes of the 3-bromo-substituted benzene and 4,5-dimeth-oxy-2-nitro-phenyl rings are 6.9 (6) and 20.5 (5)°, respectively. Weak inter-molecular C-H⋯O inter-actions contribute to crystal stability and π-π inter-actions [centroid-centroid distances = 3.7072 (18) and 3.6326 (18) Å] are also observed.

| S-EPMC3009291 | biostudies-literature

(E)-1-(2,5-Dichloro-3-thien-yl)-3-(3,4-dimeth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(15)H(12)Cl(2)O(3)S, the prop-2-en-1-one (enone) fragment is almost planar [C-C-C-O = 2.2?(4)°] and it subtends dihedral angles of 11.9?(2) and 11.0?(2)° with the thio-phene and benzene rings, respectively. The dihedral angle between the aromatic rings is 3.47?(16)°. In the crystal, weak C-H?O and C-H?Cl inter-actions link the mol-ecules, leading to R(2) (2)(14), R(2) (2)(24) and C(11) supra-molecular motifs occurring within the three-dimensional network. Weak aromatic ?-? stacking [centroid-centroid separations = 3.6823?(15) and 3.8722?(15)?Å] may also help to consolidate the packing.

| S-EPMC2983303 | biostudies-literature

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