Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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)°.

SUBMITTER: Zheng CY

PROVIDER: S-EPMC2968673 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Zheng Chun-Yang CY Wang Dun-Jia DJ Fan Ling L

Acta crystallographica. Section E, Structure reports online 20090213 Pt 3

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)°. ...[more]

PMID: 21582182

Similar Datasets

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

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

Project description:In the title compound, C(21)H(16)O(2), the six crystallographically independent mol-ecules (Z' = 6) all exist in the enolized form. Strong intra-molecular hydrogen bonds are observed: one approximate H-atom-centered O?H?O hydrogen bond, two tautomeric forms O-H?O (three mol-ecules) and O?H-O (two mol-ecules). Only one weak inter-molecular C-H?O hydrogen bond between two neighboring mol-ecules is observed in the crystal structure. In addition, eight very weak non-conventional inter-molecular C-H?? hydrogen-bonding contacts between mol-ecules are observed.

| S-EPMC2968073 | biostudies-literature

(E)-3-[4-(Di-fluoro-meth-oxy)-3-hy-droxy-phen-yl]-1-phenyl-prop-2-en-1-one.

Project description:In the title compound, C16H12F2O3, the plane of the phenyl ring makes a dihedral angle of 3.22?(8)° with that of the benzene ring. The mol-ecule has an E conformation about the C=C bond. In the crystal, mol-ecules are linked via pairs of O-H?O hydrogen bonds, forming inversion dimers which are further consolidated by a pair of C-H?O hydrogen bonds. The dimers are linked via C-H?O hydrogen bonds, forming columns along the b-axis direction.

| S-EPMC3648329 | biostudies-literature

1-(3,4-Di-meth-oxy-phen-yl)-3-phenyl-prop-2-en-1-one.

Project description:In the title compound, C17H16O3, the dihedral angle between the mean planes of the benzene rings is 57.1?(1)°. The mean plane of the ketone group is twisted by 10.0?(5)° from that of the di-meth-oxy-phenyl ring. The two di-meth-oxy-phenyl groups are twisted slighly from the mean plane of the phenyl ring, with C-O-C-C torsion angles of 6.4?(2) and -7.9?(2)° [r.m.s. deviations = 0.15?(3) and 0.18?(3)?Å for the two methoxy C atoms]. In the crystal, weak centroid-centroid ?-? stacking inter-actions, with inter-centroid distances of 3.8939?(11) and 3.9430?(10)?Å are observed.

| S-EPMC3998479 | 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

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

Project description: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.

| S-EPMC3295424 | biostudies-literature

3-(1-Hydr-oxy-2-phenyl-prop-2-en-1-yl)phenol.

Project description:Two independent pseudo-enanti-omeric mol-ecules comprise the asymmetric unit in the title compound, C(15)H(14)O(2). While the central O-C-C-C residue approaches planarity [torsion angles = -15.8?(3) (mol-ecule a) and 15.4?(3)° (mol-ecule b)], the benzene rings are approximately orthogonal [the dihedral angles formed between the benzene rings are 62.89?(12) (mol-ecule a) and 80.15?(12)° (mol-ecule b)]. Two-dimensional arrays in the ab plane sustained by O-H?O hydrogen bonding are found in the crystal structure.

| S-EPMC2979021 | biostudies-literature

1-(2-Hydr-oxy-5-methyl-phen-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one.

Project description:In the structure of the title compound, C(15)H(14)O(2)S, the benzene ring is nearly coplanar with the thio-phene ring. The hydroxy group substituted at C2 position is in an antiperi-planar conformation with respect to the phenyl ring. The crystal structure exhibits weak intramolecular O-H?O hydrogen bonding.

| S-EPMC2979389 | biostudies-literature

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

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(16)H(11)Cl(2)FO(2). The F atom equally populates both meta positions of the 6-dichloro-3-fluoro-phenyl ring in each mol-ecule, resulting in 0.5 occupancy for both the F and H atoms in these positions. The dihedral angle between the mean planes of the benzene rings are 77.5?(2) and 89.8?(8)°in the two mol-ecules. In the crystal, weak C-H?F and C-H?O inter-actions involving the half-occupied H and F atoms are observed. Weak ?-? stacking inter-actions [centroid-centroid distance = 3.150?(2)?Å] also contribute to the crystal stability.

| S-EPMC3344105 | biostudies-literature

(Z)-3-(3,4-Dimeth-oxy-phen-yl)-3-(4-fluoro-phen-yl)-1-morpholino-prop-2-en-1-one.

Project description:The title compound, C(21)H(22)FNO(4), is an isomer of flumorph (systematic name 4-[3-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-1-oxo-2-propenyl]morpholine), which was developed by Shenyang research institute of chemical industry and used as fungicide. The mol-ecule adopts a Z configuration about the C=C double bond. The dihedral angle between the two benzene rings is 73.45?(11)°.

| S-EPMC3151755 | 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