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(E)-1-(1,3-Benzodioxol-5-yl)-3-(3-bromo-phen-yl)prop-2-en-1-one.

ABSTRACT: In the title compound, C(16)H(11)BrO(3), the mol-ecules adopt an E configuration with respect to the C=C double bond of the propenone unit. The 13 non-H atoms of the benzodioxole and propenone units are approximately coplanar (r.m.s. deviation = 0.027?Å) and the bromo-benzene ring plane forms a dihedral angle of 10.8?(1)° to this plane. The structure is layered, with the mol-ecules forming a herring-bone arrangement within each layer.

SUBMITTER: Li H

PROVIDER: S-EPMC2960124 | biostudies-literature | 2008 Nov

REPOSITORIES: biostudies-literature

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(E)-1-(1,3-Benzodioxol-5-yl)-3-(3-bromo-phen-yl)prop-2-en-1-one.

Li Hongqi H Sreevidya T V TV Narayana B B Sarojini B K BK Yathirajan H S HS

Acta crystallographica. Section E, Structure reports online 20081120 Pt 12

In the title compound, C(16)H(11)BrO(3), the mol-ecules adopt an E configuration with respect to the C=C double bond of the propenone unit. The 13 non-H atoms of the benzodioxole and propenone units are approximately coplanar (r.m.s. deviation = 0.027 Å) and the bromo-benzene ring plane forms a dihedral angle of 10.8 (1)° to this plane. The structure is layered, with the mol-ecules forming a herring-bone arrangement within each layer. ...[more]

PMID: 21581358

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(2E)-1-(1,3-Benzodioxol-5-yl)-3-(2-bromo-phen-yl)prop-2-en-1-one.

Project description:The mol-ecule of the title compound, C(16)H(11)BrO(3), is essentially planar with a maximum deviation of 0.178?(4)?Å and the configuration of the keto group with respect to the olefinic double bond is typically s-cis. In the crystal structure, inter-molecular Br?O inter-actions [3.187?(3)Å] give rise to chains parallel to the b axis. Adjacent chains are further linked along the a axis by C-H?? inter-actions. The crystal studied was a racemic twin with a 0.595?(13):0.405?(13) ratio.

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(2E)-3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-2-thien-yl)prop-2-en-1-one.

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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).

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

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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.

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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.

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

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(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.

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

Project description:In the title compound, C(18)H(17)BrO(4), the dihedral angle between the 4-bromo-phenyl and 3,4,5-trimethoxy-phenyl rings is 44.18?(6)°. In the crystal structure, the mol-ecules are linked by C-H?O and C-H?? inter-actions.

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(E)-1-(4-Bromo-phen-yl)-3-(2,4,6-trimethoxy-phen-yl)prop-2-en-1-one.

Project description:The mol-ecule of the title chalcone derivative, C(18)H(17)BrO(4), is twisted, the dihedral angle between the 4-bromo-phenyl and 2,4,6-trimethoxy-phenyl rings being 39.17?(6)°. The three meth-oxy groups are oriented in two different conformations whereby two meth-oxy groups are coplanar, whereas the third is twisted with respect to the attached benzene ring [C-O-C-C torsion angles of -2.84?(18), -2.80?(18) and -9.31?(18)°]. Weak intra-molecular C-H?O inter-actions generate two S(5) and one S(6) ring motifs. In the crystal structure, mol-ecules are linked into supra-molecular sheets parallel to the bc plane by weak C-H?O inter-actions. These sheets are stacked along the a axis. The crystal structure is further stabilized by weak C-H?? inter-actions.

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