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

ABSTRACT: In the title compound, C(16)H(13)BrO(3), the dihedral angle formed between the bromo- and methyl-substituted benzene rings is 66.66 (8)°. In the crystal, mol-ecules are linked by inter-molecular C-H⋯O hydrogen bonds, forming a two-dimensional network parallel to the ac plane. The crystal packing is further consolidated by C-H⋯π inter-actions.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3247503 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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

Fun Hoong-Kun HK Ooi Chin Wei CW Garudachari B B Isloor Arun M AM Satyanarayan M N MN

Acta crystallographica. Section E, Structure reports online 20111029 Pt 11

In the title compound, C(16)H(13)BrO(3), the dihedral angle formed between the bromo- and methyl-substituted benzene rings is 66.66 (8)°. In the crystal, mol-ecules are linked by inter-molecular C-H⋯O hydrogen bonds, forming a two-dimensional network parallel to the ac plane. The crystal packing is further consolidated by C-H⋯π inter-actions. ...[more]

PMID: 22220121

Similar Datasets

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.

| S-EPMC3238827 | biostudies-literature

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).

| S-EPMC3589039 | biostudies-literature

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⋯π inter-actions. The studied crystal is an inversion twin, the refined ratio of the twin components being 0.128 (8):0.872 (8).

| S-EPMC3152043 | biostudies-literature

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

Project description:The asymmetric unit of the title compound, C(15)H(10)BrClO(3), consists of three crystallographically independent mol-ecules. The dihedral angles between the benzene rings in the three mol-ecules are 68.8 (2), 0.7 (3) and 66.1 (2)°. In the crystal, the three independent mol-ecules are inter-connected by C-H⋯O hydrogen bonds, leading to isolated trimers.

| S-EPMC3151903 | biostudies-literature

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

Project description: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.

| S-EPMC3152007 | biostudies-literature

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⋯π inter-action is also observed.

| S-EPMC3120282 | biostudies-literature

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].

| S-EPMC3247591 | biostudies-literature

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

Project description:In the title compound, C(16)H(13)ClO(3), the dihedral angle between the benzene rings is 80.74 (8)°. In the crystal, C-H⋯O hydrogen bonds link the mol-ecules to form C(11) chains propagating in [010].

| S-EPMC3247425 | biostudies-literature

Crystal structure of 2-(4-chloro-phen-yl)-2-oxoethyl 3-bromo-benzoate.

Project description:2-(4-Chloro-phen-yl)-2-oxoethyl 3-bromo-benzoate, C15H10BrClO3, was synthesized in a single-step reaction by condensation of 3-bromo-benzoic acid with 2-bromo-1-(4-chloro-phen-yl)ethanone in di-methyl-formamide in the presence of tri-ethyl-amine as a catalyst. The structure consists of an aryl ketone moiety linked to an aryl ester unit by a methyl-ene group. Both units are reasonably planar (r.m.s. deviations of 0.119 and 0.010 Å for the aryl ketone and aryl ester units, respectively) and are almost orthogonal, with an angle of 88.60 (3)° between them. In the crystal, mol-ecules form five separate sets of inversion dimers. Three of these are generated by two C-H⋯O inter-actions and a C-H⋯Br contact, and form chains along c and along the ab cell diagonal. In addition, two inversion-related π-π stacking inter-actions between like aryl rings again form chains of mol-ecules but in this instance along the bc diagonal. These contacts generate infinite layers of mol-ecules parallel to (011) and stack the mol-ecules along the a-axis direction.

| S-EPMC4257351 | biostudies-literature

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

Project description:In the title compound, C(15)H(11)ClO(3), the dihedral angle between the aromatic rings is 84.29 (8)°. In the crystal, mol-ecules are linked by weak C-H⋯π inter-actions.

| S-EPMC3151803 | biostudies-literature

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