Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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?? inter-actions.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3151803 | biostudies-other | 2011 Jul

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

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

Fun Hoong-Kun HK Shahani Tara T Garudachari B B Isloor Arun M AM Satyganarayan M N MN

Acta crystallographica. Section E, Structure reports online 20110625 Pt 7

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. ...[more]

PMID: 21837175

Similar Datasets

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

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-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

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

Project description:The title compound, C(15)H(11)ClO(4), consists of a chloro-benzene ring and a phenol ring which are linked together by a 1,4-dioxo-2-oxabutane-1,4-diyl group. The dihedral angle between the chloro-benzene and phenol rings is 65.70?(11)°. In the crystal, inter-molecular O-H?O hydrogen bonds link the mol-ecules into chains along [010].

| S-EPMC3201459 | 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

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 ?-? 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-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-other

2-(4-Chloro-phen-yl)-2-oxoethyl 2,4-di-fluoro-benzoate.

Project description:The asymmetric unit of title compound, C(15)H(9)ClF(2)O(3), consists of two crystallographically independent mol-ecules. The dihedral angle between the two terminal benzene rings in one mol-ecule is 7.92?(14)°, while that in the other mol-ecule is 73.50?(16)°. In the crystal, mol-ecules are stacked into columns along the b axis by inter-molecular C-H?O hydrogen bonds. A ?-? inter-action with a centroid-to-centroid distance of 3.747?(2)?Å further stabilizes the crystal structure.

| S-EPMC3151833 | biostudies-other

Crystal structure and Hirshfeld surface analysis of 2-(4-nitro-phen-yl)-2-oxoethyl 2-chloro-benzoate.

Project description:The title compound, C15H10ClNO5, is relatively planar with the two aromatic rings being inclined to each other by 3.56?(11)°. The central -C(=O)-C-O-C(=O)- bridge is slightly twisted, with a C-C-O-C torsion angle of 164.95?(16)°. In the crystal, mol-ecules are linked by C-H?O and C-H?Cl hydrogen bonds, forming layers parallel to the (101) plane. The layers are linked by a further C-H?O hydrogen bond, forming a three-dimensional supra-molecular structure. There are a number of offset ?-? inter-actions present between the layers [inter-centroid distances vary from 3.8264?(15) to 3.9775?(14)?Å]. Hirshfeld surface analyses, the d norm surfaces, electrostatic potential and two-dimensional fingerprint plots were examined to verify the contributions of the different inter-molecular contacts within the supra-molecular structure. The shape-index surface shows that two sides of the mol-ecule are involved in the same contacts with neighbouring mol-ecules, and the curvedness plot shows flat surface patches that are characteristic of planar stacking.

| S-EPMC6829745 | biostudies-literature

2-(4-Fluoro-phen-yl)-2-oxoethyl 2-methoxy-benzoate.

Project description:In the title compound, C(16)H(13)FO(4), the aromatic rings enclose an angle of 73.68?(6)°. In the crystal, C-H?O and C-H?F contacts connect the mol-ecules into a three-dimensional network. The shortest inter-centroid distance between two aromatic ?-systems is 3.6679?(7)?Å and is apparent between the fluorinated phenyl groups.

| S-EPMC3275257 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

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