Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: In the title compound, C(15)H(10)ClFO, the fluoro-substituted benzene ring forms a dihedral angle of 44.41?(6)° with the chloro-substituted benzene ring. The only significant directional bonds in the crystal are weak C-H?? inter-actions.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3295424 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Fun Hoong-Kun HK Chia Tze Shyang TS Sapnakumari M M Narayana B B Sarojini B K BK

Acta crystallographica. Section E, Structure reports online 20120210 Pt 3

In the title compound, C(15)H(10)ClFO, the fluoro-substituted benzene ring forms a dihedral angle of 44.41 (6)° with the chloro-substituted benzene ring. The only significant directional bonds in the crystal are weak C-H⋯π inter-actions. ...[more]

PMID: 22412535

Similar Datasets

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

Project description:In the title compound, C(15)H(11)ClO, the dihedral angle between the mean planes of the benzene ring and the chloro-substituted benzene ring is 48.8 (3)°. The dihedral angles between the mean plane of the prop-2-ene-1-one group and the mean planes of the 3-chloro-phenyl and benzene rings are 27.0 (4) and 27.9 (3)°, respectively. In the crystal, weak inter-molecular C-H⋯π-ring inter-actions occur.

| S-EPMC2980116 | biostudies-literature

(E)-3-(4-Chloro-phen-yl)-1-(2,4-dichloro-5-fluoro-phen-yl)prop-2-en-1-one.

Project description:In the title chalcone derivative, C(15)H(8)Cl(3)FO, the dihedral angle between the two benzene rings is 43.35 (8)°. Weak C-H⋯O and C-H⋯Cl intra-molecular inter-actions involving the enone group generate S(5) and S(6) ring motifs, respectively. In the crystal structure, mol-ecules are linked into anti-parallel chains along the a axis. These chains are stacked along the b axis and short Cl⋯F contacts of 3.100 (1) Å link adjacent mol-ecules of the anti-parallel chains into dimers.

| S-EPMC2961420 | biostudies-literature

3-(2-Chloro-6-fluoro-phen-yl)-1-(2-thien-yl)prop-2-en-1-one.

Project description:The title chalcone derivative, C(13)H(8)ClFOS, crystallized as an inversion twin with two independent mol-ecules in the asymmetric unit. The thio-phene rings in both mol-ecules are disordered over two sites: the ratios of occupancies for the major and minor components in the two mol-ecules are 0.820 (2):0.180 (2) and 0.853 (2):0.147 (2). The dihedral angles between the major and minor components of the thio-phene and benzene rings are 1.13 (18) and 2.2 (6)°, respectively, in one mol-ecule, with corresponding values 6.09 (17) and 1.3 (6)° in the other. Weak intra-molecular C-H⋯O and C-H⋯F inter-actions involving the prop-2-en-1-one group generate an S(5)S(5) ring motif, whereas a weak intra-molecular C-H⋯Cl contact generates an S(6) ring motif. In the crystal structure, mol-ecules of both the major and minor components are linked into infinite one-dimensional chains along the b axis. The crystal structure is stabilized by weak C-H⋯O, C-H⋯F, C-H⋯Cl and C-H⋯π inter-actions.

| S-EPMC2960501 | biostudies-literature

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

Project description:In the title compound, C(15)H(9)Cl(2)FO, the F atom shows positional disorder over two positions, with site-occupancy factors of 0.747?(4) and 0.253?(4). The dihedral angle between the rings is 86.37?(10)°. In the crystal, C-H?O contacts connect the mol-ecules into chains along the c axis. The shortest inter-centroid distance between two aromatic systems is 3.6686?(12)?Å and is apparent between the halogenated rings.

| S-EPMC3344040 | biostudies-literature

1-(4-Fluoro-phen-yl)-3-hydr-oxy-3-phenyl-prop-2-en-1-one.

Project description:In the crystal structure the title compound, C(15)H(11)FO(2), the molecule exists in the enol form. It is stabilized by an intra-molecular O-H?O hydrogen bond, in which the donor O-H and acceptor H?O distances are almost equal. The dihedral angle between the two benzene rings is 22.30?(4)°.

| S-EPMC2968673 | 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

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

Project description:The title compound, C(15)H(10)Cl(2)O, is a chalcone with 3-chloro-phenyl and 4-chloro-phenyl substituents bonded at the opposite ends of a propenone group, the biologically active region. The dihedral angle between mean planes of these two chloro-substituted benzene rings is 46.7?(7)° compared to 46.0?(1) and 32.4?(1)° in similar published sructures. The angles between the mean plane of the prop-2-en-1-one group and the mean planes of the 3-chloro-phenyl and 4-chloro-phenyl rings are 24.1?(2) and 29.63°, respectively. While no classical hydrogen bonds are present, weak inter-molecular C-H??-ring inter-actions are observed, which contribute to the stability of crystal packing.

| S-EPMC2971255 | biostudies-literature

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

Project description:The title compound, C(15)H(10)Cl(2)O, adopts an E configuration with respect to the C=C bond of the propenone unit. The dihedral angle between the two benzene rings is 32.4?(1)°. Intra-molecular C-H?O and C-H?Cl hydrogen bonds generate an S(5)S(5)S(5) motif. In addition, the crystal structure is stabilized by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC2961505 | biostudies-literature

3-(4-Chloro-phen-yl)-1-(2-methyl-4-phenyl-quinolin-3-yl)prop-2-en-1-one.

Project description:The crystal structure of the title compound, C(25)H(18)ClNO, shows that the mol-ecules are isolated and not involved in inter-molecular C-H⋯O or C-H⋯Cl inter-actions. However, the phenyl and quinoline rings are involved in π-π inter-actions [centroid-centroid distance = 3.8829 (9) Å].

| S-EPMC3051952 | biostudies-literature

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

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