Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ACCESS DATA

Json Xml

Publications

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.

| S-EPMC3120282 | biostudies-literature

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?? inter-action is also observed.

| S-EPMC3239022 | biostudies-literature

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.

| S-EPMC3151969 | 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?? 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-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-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?? inter-actions and ?-? stacking inter-actions [centroid-centroid distance = 3.5476?(7)?Å].

| S-EPMC3247591 | biostudies-literature

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.

| S-EPMC3152104 | biostudies-literature

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.

| S-EPMC3247575 | biostudies-literature

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?? inter-actions and short F?F contacts [2.7748?(14)?Å] also occur.

| S-EPMC3239086 | biostudies-other

2-(4-Chloro-phen-yl)-2-oxoethyl 3,4-dimeth-oxy-benzoate.

Project description:In the title compound, C(17)H(15)ClO(5), the benzene rings forms a dihedral angle of 74.45?(10)°. In the crystal, mol-ecules are linked into C(13) chains along [011] via C-H?O hydrogen bonds. The crystal packing also features short Cl?Cl contacts of 3.1253?(10)?Å.

| S-EPMC3238996 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data