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

ABSTRACT: The structure of the title compound, C(15)H(10)BrClO, comprises two substituted benzene rings bridged by a prop-2-en-1-one group and exists in an E configuration about the C=N double bond. The dihedral angle formed between the 4-bromo-phenyl and 2-chloro-phenyl rings is 23.77 (18)°. In the crystal structure, the mol-ecules are linked by weak C-H⋯O inter-actions, forming a supra-molecular zigzag chain. Intramolecular C-H⋯Cl and C-H⋯O hydrogen bonds are also present.

SUBMITTER: Fun HK

PROVIDER: S-EPMC2962094 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

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

Fun Hoong-Kun HK Patil P S PS Dharmaprakash S M SM Chantrapromma Suchada S

Acta crystallographica. Section E, Structure reports online 20080712 Pt 8

The structure of the title compound, C(15)H(10)BrClO, comprises two substituted benzene rings bridged by a prop-2-en-1-one group and exists in an E configuration about the C=N double bond. The dihedral angle formed between the 4-bromo-phenyl and 2-chloro-phenyl rings is 23.77 (18)°. In the crystal structure, the mol-ecules are linked by weak C-H⋯O inter-actions, forming a supra-molecular zigzag chain. Intramolecular C-H⋯Cl and C-H⋯O hydrogen bonds are also present. ...[more]

PMID: 21203178

Similar Datasets

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

Project description:In the title compound, C(15)H(10)BrClO, the dihedral angle between mean planes of the bromo- and chloro-substituted benzene rings is 46.2?(2)° compared to 45.20?(9)° in the structure with the Cl substituent in the meta position of the aromatic ring. The dihedral angles between the mean plane of the prop-2-ene-1-one group and the mean planes of the 4-bromo-phenyl and 3-chloro-phenyl rings are 28.7?(5) and 24.2?(4)°, respectively. In the crystal, weak inter-molecular C-H?? inter-actions occur.

| S-EPMC2980037 | biostudies-literature

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

Project description:In the title compound, C(15)H(10)BrClO, the dihedral angle between the mean planes of the benzene rings in the ortho-bromo- and para-chloro-substituted rings is 70.5 (6)°. The dihedral angles between the mean plane of the prop-2-en-1-one group and the mean planes of the benzene rings in the 4-chloro-phenyl and 2-bromo-phenyl rings are 14.9 (3) and 63.3 (8)°, respectively. In the crystal, inversion dimers linked by pairs of weak C-H⋯O interactions are observed as well as aromatic π-π stacking inter-actions.

| S-EPMC3007051 | biostudies-literature

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

Project description:In the title compound, C(15)H(9)BrCl(2)O, the two benzene rings are twisted from each other with a dihedral angle of 47.33?(8)°. The crystal structure is stabilized by aromatic ?-? inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.680?(2)?Å], and by weak inter-molecular C-H?O and C-H?Cl inter-actions. Additionally, the crystal structure exhibits a short intra-molecular C-H?Br contact (H?Br = 2.69?Å).

| S-EPMC2971337 | biostudies-literature

(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.

| S-EPMC3006939 | biostudies-literature

(2E)-3-(3-Bromo-phen-yl)-1-(4-chloro-phen-yl)prop-2-en-1-one: a non-merohedral twin.

Project description:In the title compound, C(15)H(10)BrClO, the mol-ecule adopts an E configuration with respect to the C=C double bond and the dihedral angle between the aromatic ring planes is 3.98?(16)°. In the crystal, inversion dimers linked by pairs of C-H?O bonds are seen and weak ?-? stacking [centroid-centroid separation = 3.8776?(19)?Å] may further consolidate the structure. The crystal studied was a non-merohedral twin with a ratio of the twin components of 0.9093?(13):0.0907?(13). The twin operation is a twofold rotation around c*.

| S-EPMC2977300 | biostudies-literature

(2E)-1-(3-Chloro-phen-yl)-3-(4-chloro-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(15)H(10)Cl(2)O, is a chalcone with 3-chloro-phenyl and 4-chloro-phenyl substituents bonded at the opposite ends of a propenone group, the biologically active region. The dihedral angle between mean planes of these two chloro-substituted benzene rings is 46.7?(7)° compared to 46.0?(1) and 32.4?(1)° in similar published sructures. The angles between the mean plane of the prop-2-en-1-one group and the mean planes of the 3-chloro-phenyl and 4-chloro-phenyl rings are 24.1?(2) and 29.63°, respectively. While no classical hydrogen bonds are present, weak inter-molecular C-H??-ring inter-actions are observed, which contribute to the stability of crystal packing.

| S-EPMC2971255 | biostudies-literature

(E)-3-(2-Chloro-phen-yl)-1-(4-chloro-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(15)H(10)Cl(2)O, adopts an E configuration with respect to the C=C bond of the propenone unit. The dihedral angle between the two benzene rings is 32.4 (1)°. Intra-molecular C-H⋯O and C-H⋯Cl hydrogen bonds generate an S(5)S(5)S(5) motif. In addition, the crystal structure is stabilized by weak inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC2961505 | 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

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

Project description:The title compound, C(17)H(15)BrO(2), consists of two substituted benzene rings connected by a prop-2-en-1-one group. The mol-ecule is nearly planar and adopts an E configuration. The dihedral angle between the two benzene rings is 8.51 (19)°. The enone plane makes dihedral angles of 11.06 (19) and 7.69 (19)°, respectively, with the bromo-phenyl and ethoxy-phenyl rings. The mol-ecules are linked by C-H⋯O hydrogen bonds to form a zigzag ribbon-like structure along the b direction. The crystal structure is stabilized by weak intra- and inter-molecular C-H⋯O inter-actions.

| S-EPMC2962165 | biostudies-literature

(2E)-3-(2-Bromo-phen-yl)-1-(5-bromo-thio-phen-2-yl)prop-2-en-1-one.

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.

| S-EPMC3589032 | biostudies-literature

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