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

ABSTRACT: 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.

SUBMITTER: Li Z

PROVIDER: S-EPMC3297847 | biostudies-other | 2012 Mar

REPOSITORIES: biostudies-other

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

Li Zhe Z Wang Yanan Y Peng Kesong K Chen Lingzi L Chu Shenghui S

Acta crystallographica. Section E, Structure reports online 20120217 Pt 3

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. ...[more]

PMID: 22412650

Similar Datasets

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

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.

| S-EPMC3297934 | 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 ?-? stacking inter-molecular inter-actions [centroid-centroid distance = 3.650?(2)?Å] are present in the structure.

| S-EPMC3007330 | 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

(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

(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

(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

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

Project description: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.

| S-EPMC2979457 | biostudies-literature

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.

| S-EPMC4571368 | biostudies-literature

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

Project description:In the title chalcone derivative, C(20)H(22)O(6), the dihedral angle between the mean planes of the benzene rings is 15.77?(6)°. The H atoms of the central C=C double bond are in a trans configuration. There are a number of C-H?O interactions and a C-H?? interaction present in the crystal structure.

| S-EPMC3254497 | biostudies-literature

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