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2-(4-Bromo-phen-yl)-2-oxoethyl 2-meth-oxy-benzoate.

ABSTRACT: In the title mol-ecule, C(16)H(13)BrO(4), the dihedral angle between the benzene rings is 85.92?(10)°. In the crystal, mol-ecules are linked into chains along [100] via weak inter-molecular C-H?O hydrogen bonds.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3152007 | biostudies-other | 2011 Jul

REPOSITORIES: biostudies-other

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2-(4-Bromo-phen-yl)-2-oxoethyl 2-meth-oxy-benzoate.

Fun Hoong-Kun HK Quah Ching Kheng CK Garudachari B B Isloor Arun M AM Satyanarayan M N MN

Acta crystallographica. Section E, Structure reports online 20110618 Pt 7

In the title mol-ecule, C(16)H(13)BrO(4), the dihedral angle between the benzene rings is 85.92 (10)°. In the crystal, mol-ecules are linked into chains along [100] via weak inter-molecular C-H⋯O hydrogen bonds. ...[more]

PMID: 21837114

Similar Datasets

2-(4-Bromo-phen-yl)-2-oxoethyl 4-meth-oxy-benzoate.

Project description:In the title compound, C(16)H(13)BrO(4), the benzene rings are almost perpendicular to each other, making a dihedral angle of 84.07?(8)°. In the crystal, the mol-ecules are linked into chains along the a axis via inter-molecular C-H?O hydrogen bonds. A C-H?? inter-action is also observed.

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2-(4-Chloro-phen-yl)-2-oxoethyl 2-meth-oxy-benzoate.

Project description:In the title compound, C(16)H(13)ClO(4), the two benzene rings make a dihedral angle of 86.38 (8)°. In the crystal, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules to form columns along the a axis. The mol-ecules are also stabilized by a π-π stacking inter-action, with a centroid-centroid distance of 3.7793 (10) Å between the inversion-related benzene rings.

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2-(2,4-Dichloro-phen-yl)-2-oxoethyl 4-meth-oxy-benzoate.

Project description:In the title compound, C(16)H(12)Cl(2)O(4), the dihedral angle between the benzene rings is 70.11 (6)°. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds into a three-dimensional network. A C-H⋯π inter-action is also observed.

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2-(4-Fluoro-phen-yl)-2-oxoethyl 4-meth-oxy-benzoate.

Project description:In the title compound, C(16)H(13)FO(4), the dihedral angle between the benzene rings is 84.28 (8)°. In the crystal, C-H⋯F and C-H⋯O hydrogen bonds link the mol-ecules to form a three-dimensional network. The crystal structure is consolidated by C-H⋯π inter-actions and short F⋯F contacts [2.7748 (14) Å] also occur.

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2-(4-Bromo-phen-yl)-2-oxoethyl 4-bromo-benzoate.

Project description:The asymmetric unit of the title compound, C(15)H(10)Br(2)O(3), consists of three crystallographically independent mol-ecules (A, B and C). The phenyl rings in mol-ecules A, B and C make dihedral angles of 6.1?(3), 3.2?(2) and 54.6?(2)° to each other, respectively. In the crystal, mol-ecules are linked into two-dimensional layers parallel to the ab plane by inter-molecular C-H?O hydrogen bonds. The crystal structure is further stabilized by C-H?? inter-actions. The studied crystal is an inversion twin, the refined ratio of the twin components being 0.128?(8):0.872?(8).

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2-(4-Methyl-phen-yl)-2-oxoethyl 3-bromo-benzoate.

Project description:The mol-ecule of the title compound, C16H13BrO3, is built of two approximately planar fragments, viz. 3-bromo-benzoate [maximum deviation = 0.055?(2)?Å and 2-oxo-2-p-tolyl-ethyl [maximum deviation = 0.042?(2)?Å], inclined by 46.51?(7)°. In the crystal, weak C-H?O hydrogen bonds and Br?Br contacts [3.6491?(7)?Å] connect the mol-ecules into infinite layers parallel to (-221).

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2-(4-Bromo-phen-yl)-2-oxoethyl 4-methyl-benzoate.

Project description:The title compound, C(16)H(13)BrO(3), consists of a toluene ring and a bromo-benzene ring which are linked together by a 2-oxopropyl acetate group. The dihedral angle formed between the toluene and bromo-benzene rings is 80.70 (7)°. In the crystal, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.

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2-(4-Bromo-phen-yl)-2-oxoethyl 4-hy-droxy-benzoate.

Project description:In the title compound, C(15)H(11)BrO(4), the dihedral angle between the aromatic rings is 66.77 (8)°. In the crystal, O-H⋯O, C-H⋯Br and C-H⋯O hydrogen bonds link the mol-ecules, forming layers lying parallel to (101). The crystal packing is further consolidated by C-H⋯π inter-actions and π-π stacking inter-actions [centroid-centroid distance = 3.5476 (7) Å].

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2-(4-Chloro-phen-yl)-2-oxoethyl 3-(trifluoro-meth-yl)benzoate.

Project description:In the title compound, C(16)H(10)ClF(3)O(3), the two benzene rings are slightly twisted from each other, with a dihedral angle of 15.50?(8)° between the planes. In the crystal, inter-molecular C-H?O hydrogen bonds link the mol-ecules into a layer parallel to the bc plane.

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2-(4-Fluoro-phen-yl)-2-oxoethyl 3-(trifluoro-meth-yl)benzoate.

Project description:In the title compound, C(16)H(10)F(4)O(3), the fluoro-form group is disordered over two orientations with an occupancy ratio of 0.834?(4):0.166?(4). The dihedral angle between the two aromatic rings is 20.34?(9)°. In the crystal, C-H?O hydrogen bonds link the mol-ecules into layers lying parallel to the bc plane.

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