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(2E)-1-(3-Bromo-phen-yl)-3-(6-meth-oxy-2-naphth-yl)prop-2-en-1-one.

ABSTRACT: In the title compound, C(20)H(15)BrO(2), the prop-2-en-1-one fragment is substanti-ally twisted [C-C-C-O = 23.0?(11)°]. The dihedral angle between the benzene and naphthalene rings is 44.28?(13)°. The only possible directional inter-actions in the crystal are weak C-H?? contacts, which generate (001) sheets.

SUBMITTER: Harrison WT

PROVIDER: S-EPMC2983307 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

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(2E)-1-(3-Bromo-phen-yl)-3-(6-meth-oxy-2-naphth-yl)prop-2-en-1-one.

Harrison William T A WT Mayekar A N AN Yathirajan H S HS Narayana B B

Acta crystallographica. Section E, Structure reports online 20100911 Pt 10

In the title compound, C(20)H(15)BrO(2), the prop-2-en-1-one fragment is substanti-ally twisted [C-C-C-O = 23.0 (11)°]. The dihedral angle between the benzene and naphthalene rings is 44.28 (13)°. The only possible directional inter-actions in the crystal are weak C-H⋯π contacts, which generate (001) sheets. ...[more]

PMID: 21587540

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

Project description:In the title compound, C(16)H(13)BrO(2), two benzene rings form a dihedral angle of 44.3?(9)°. In the crystal, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules into chains propagating in [010]. The crystal packing also exhibits short Br?Br contacts of 3.4787?(8)?Å. A comparison of the DFT-optimized gas-phase mol-ecular geometry with that in the crystal structure revealed only small differences.

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

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

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(2E)-3-{4-[(1H-1,3-Benzimidazol-2-yl)meth-oxy]-3-eth-oxy-phen-yl}-1-(4-bromo-phen-yl)prop-2-en-1-one monohydrate.

Project description:In the title compound, C(25)H(21)BrN(2)O(3)·H(2)O, the benzimidazole fragment and the water mol-ecule of crystallization are each disordered over two sets of sites of equal occupancy. The dihedral angles between the least-squares planes of the benzimidazole and the 3-eth-oxy- and 4-bromo-benzene rings are 86.9 (6) and 85.1 (1)°, respectively in one disorder component. The crystal packing is stabilized by inter-molecular O-H⋯O, O-H⋯N and N-H⋯N hydrogen bonds, which link the mol-ecules into chains along the a axis.

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(2E)-1-(2,5-Dichloro-3-thien-yl)-3-(6-meth-oxy-2-naphth-yl)prop-2-en-1-one.

Project description:In the title compound, C(18)H(12)Cl(2)O(2)S, the dihedral angle between the thio-phene ring and the naphthalene ring system is 2.13?(4)°. In the crystal, pairs of weak inter-molecular C-H?O hydrogen bonds form centrosymmetric dimers.

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(2E)-1-(3,5-Di-hydroxy-phen-yl)-3-(4-meth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C16H14O4, the benzene rings are inclined to one another by 4.91?(7)°. The conformation about the C=O and C=C bonds is trans and cis, respectively. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds, forming inversion dimers with an R 2 (2)(14) ring motif. The dimers are linked via O-H?O and C-H?O hydrogen bonds, forming undulating two-dimensional networks lying parallel to (10-1). These networks are linked by further C-H?O hydrogen bonds, forming a three-dimensional structure.

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(2E)-3-(3-Bromo-4-meth-oxy-phen-yl)-1-(4,4''-difluoro-5'-meth-oxy-1,1':3',1''-terphenyl-4'-yl)prop-2-en-1-one.

Project description:In the title compound, C(29)H(21)BrF(2)O(3), the dihedral angles between the central anisole ring and the pendant fluoro-benzene rings are 48.86 (19) and 31.89 (18)°. The dihedral angle between the anisole ring and the 1-bromo-2-meth-oxy-benzene ring linked via the enone bridge is 82.95 (17)°. In the crystal, C-H⋯O hydrogen bonds link the mol-ecules into C(11) chains propagating along [010].

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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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