Browse
Submit Data
Databases
API
Help

Dataset Information

36 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-(4-Fluoro-phen-yl)-1-(4-methoxy-phen-yl)prop-2-en-1-one.

ABSTRACT: The title compound, C(16)H(13)FO(2), was prepared from 4-methoxy-hypnone and 4-fluoro-benzophenone by Claisen-Schmidt condensation. All the bond lengths and bond angles are in normal ranges. The dihedral angle formed by the two benzene rings is 33.49?(2)°. The crystal packing is stabilized by inter-molecular C-H?O hydrogen-bonding inter-actions.

SUBMITTER: Zhao PS

PROVIDER: S-EPMC2969700 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-(4-Fluoro-phen-yl)-1-(4-methoxy-phen-yl)prop-2-en-1-one.

Zhao Pu-Su PS Wang Xian X Guo Huan-Mei HM Jian Fang-Fang FF

Acta crystallographica. Section E, Structure reports online 20090529 Pt 6

The title compound, C(16)H(13)FO(2), was prepared from 4-methoxy-hypnone and 4-fluoro-benzophenone by Claisen-Schmidt condensation. All the bond lengths and bond angles are in normal ranges. The dihedral angle formed by the two benzene rings is 33.49 (2)°. The crystal packing is stabilized by inter-molecular C-H⋯O hydrogen-bonding inter-actions. ...[more]

PMID: 21583247

Similar Datasets

3-(2-Fluoro-phen-yl)-1-(4-methoxy-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(16)H(13)FO(2), was prepared from 4-methoxy-hypnone and 2-fluoro-benzophenone by a Claisen-Schmidt condensation reaction. The dihedral angle between the two benzene rings is 31.99 (2)°. In the crystal structure, mol-ecules are linked by weak inter-molecular C-H⋯O hydrogen bonds along [010].

| S-EPMC2971992 | biostudies-literature

(2E)-3-(2-Fluoro-phen-yl)-1-(4-fluoro-phen-yl)prop-2-en-1-one.

Project description:In the title compouund, C(15)H(10)F(2)O, the mol-ecule exists in an E conformation with respect to the C=C bond [1.3382 (16) Å]. The dihedral angle between the fluoro-substituted benzene rings is 6.80 (6)° and the whole mol-ecule is roughly planar (r.m.s. deviation for the non-H atoms = 0.069 Å). In the crystal, mol-ecules are linked by C-H⋯F and C-H⋯O inter-actions into sheets lying parallel to the bc plane.

| S-EPMC3435684 | biostudies-literature

(E)-3-(2,6-Dichloro-phen-yl)-1-(4-methoxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(16)H(12)Cl(2)O(2), the dichloro-phenyl and methoxy-phenyl groups are linked by a prop-2-en-1-one group. The C=C double bond is trans configured. The mol-ecule is not planar, as can be seen from the dihedral angle of 6.21?(7)° between the planes of the two rings. The crystal structure can be described by two types of crossed layers which are parallel to (110) and (10).

| S-EPMC2969433 | biostudies-literature

(E)-3-(3-Chloro-phen-yl)-1-(4-methoxy-phen-yl)prop-2-en-1-one.

Project description:The title mol-ecule, C(16)H(13)ClO(2), is trans with respect to the C=C double bond. The dihedral angles between the mean plane of the prop-2-en-1-one unit and those of the 3-chloro- and 4-meth-oxy-substituted benzene rings are 20.93?(9) and 20.42?(10)°, respectively, and the dihedral angle between the mean planes of the two benzene rings is 40.96?(5)°. The crystal structure is stabilized by weak inter-molecular C-H?O hydrogen bonds, forming chains along the b axis.

| S-EPMC2979640 | biostudies-literature

(E)-3-(2-Chloro-phen-yl)-1-(3-methoxy-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(16)H(13)ClO(2), adopts an E configuration with respect to the double bond of the propenone unit. The two benzene rings are twisted slightly from each other, making a dihedral angle of 7.14 (5)°. The mol-ecules are arranged in stacks, in which adjacent mol-ecules are related by inversion symmetry and form π-π inter-actions with a centroid-centroid distance of 3.7098 (6) Å. C-H⋯O and C-H⋯π inter-actions are formed between neighbouring mol-ecules.

| S-EPMC2962150 | biostudies-literature

3-(4-Methoxy-phen-yl)-1-(2-nitrophen-yl)prop-2-en-1-one.

Project description:The title compound, C(16)H(13)NO(4), was prepared from 2-nitrylhypnone [systematic name: 1-(2-nitrophenyl)ethanone] and 4-methoxy-benzophenone by a Claisen-Schmidt condensation. The dihedral angle formed by the two benzene rings is 80.73 (2). The crystal packing is stabilized by inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC2971945 | biostudies-literature

3-(4-Methoxy-phen-yl)-1-(2-pyrrol-yl)prop-2-en-1-one.

Project description:The title mol-ecule, C(14)H(13)NO(2), is almost flat with a dihedral angle of 8.0 (1)° between the pyrrole and benzene rings. The central C(3)O ketone unit has an s-cis conformation and is also coplanar with a torsion angle of -0.6 (3) °. An intra-molecular C-H⋯O hydrogen bond generates an S(5) ring motif. In addition, the meth-oxy group is coplanar with the attached benzene ring. In the crystal structure, neighboring mol-ecules are paired through N-H⋯O hydrogen bonds into centrosymmetric dimers with an R(2) (2)(10) motif.

| S-EPMC2959486 | biostudies-literature

1-(2-Fluoro-phen-yl)-3-(2,4,6-trimeth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(18)H(17)FO(4), the dihedral angle between the aromatic rings is 32.29?(8)°. The C atoms of the meth-oxy groups deviate from their attached ring plane by 0.018?(2), -0.006?(2) and -0.094?(2)?Å. In the crystal, C-H?O hydrogen bonds link the mol-ecules into C(6) [001] chains.

| S-EPMC3515281 | biostudies-literature

(E)-3-(4-Fluoro-phen-yl)-1-(2-nitro-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(15)H(10)F(N)O(3), was prepared from 2-nitro-acetphenone and 4-fluoro-benzaldehyde by an Aldol condensation reaction. The dihedral angle formed by the two benzene rings is 67.37?(2)°. The crystal structure is stabilized by weak inter-molecular C-H?O and C-H?F hydrogen bonds.

| S-EPMC2979392 | biostudies-literature

(E)-1-(4-Fluoro-phen-yl)-3-(4-methyl-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(16)H(13)FO, adopts an E configuration with respect to the C=C bond of the propenone unit. The dihedral angle between the two benzene rings is 47.0 (5)°. Intra-molecular C-H⋯O hydrogen bonds generate an S(5) ring motif. In the crystal structure, mol-ecules are packed into columns along the c axis and the structure is stabilized by weak intra-molecular C-H⋯O hydrogen bonds and inter-molecular C-H⋯π inter-actions involving both aromatic rings.

| S-EPMC2961126 | 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