Browse
Submit Data
Databases
API
Help

Dataset Information

8 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-3-(4-Chloro-phen-yl)-2-phenyl-prop-2-enoic acid.

ABSTRACT: In the title mol-ecule, C(15)H(11)ClO(2), the mean planes of the benzene and phenyl rings are inclined at 69.06?(11)° with respect to each other. The crystal structure is stablized by strong inter-molecular O-H?O hydrogen bonds between the acid groups of pairs of mol-ecules related by inversion centers.

SUBMITTER: Sadiq-Ur-Rehman

PROVIDER: S-EPMC2969502 | biostudies-literature | 2009 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-3-(4-Chloro-phen-yl)-2-phenyl-prop-2-enoic acid.

Sadiq-Ur-Rehman Ali Saqib S Shahzadi Saira S Parvez Masood M

Acta crystallographica. Section E, Structure reports online 20090613 Pt 7

In the title mol-ecule, C(15)H(11)ClO(2), the mean planes of the benzene and phenyl rings are inclined at 69.06 (11)° with respect to each other. The crystal structure is stablized by strong inter-molecular O-H⋯O hydrogen bonds between the acid groups of pairs of mol-ecules related by inversion centers. ...[more]

PMID: 21582844

Similar Datasets

(2Z)-4-[(2-Hy-droxy-phen-yl)carbamo-yl]prop-2-enoic acid.

Project description:In the title compound, C(10)H(9)NO(4), the 2-hy-droxy-anilinic and the 4-oxobut-2-enoic acid groups are almost planar, with r.m.s. deviations of 0.0086 and 0.0262?Å, respectively. The dihedral angle between the two groups is 6.65?(1)°. Intra-molecular N-H?O, C-H?O and O-H?O hydrogen bonds form S(5), S(6) and S(7) ring motifs. In the crystal, the mol-ecules are dimerized due to C-H?O and O-H?O inter-molecular hydrogen bonds, with R(2) (2)(8) ring motifs. The dimers are inter-linked into polymeric chains along [010] with R(4) (3)(13) ring motifs by C-H?O, N-H?O and O-H?O hydrogen bonds.

| S-EPMC3011684 | biostudies-literature

(Z)-3-(Benzyl-carbamo-yl)prop-2-enoic acid.

Project description:The title compound, C(11)H(11)NO(3), was synthesized by the reaction of maleic andydride and phenyl-methanamine. The mol-ecular conformation is stabilized by by an intra-molecular O-H?O hydrogen bond. In the crystal, mol-ecules are linked by inter-molecular N-H?O and C-H?O hydrogen bonds, forming a chain along the b axis.

| S-EPMC3052078 | biostudies-literature

(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??-ring inter-actions occur.

| S-EPMC2980116 | biostudies-literature

3-Meth-oxy-2-[2-({[6-(trifluoro-meth-yl)pyridin-2-yl]-oxy}meth-yl)phen-yl]prop-2-enoic acid.

Project description:The title mol-ecule, C(17)H(14)F(3)NO(4), consists of two nearly planar fragments, viz. the 2-benzyl-oxypyridine (r.m.s. deviation 0.016?Å) and (E)-3-meth-oxy-prop2-enoic (r.m.s. deviation 0.004?Å) units, which form a dihedral angle of 84.19?(7)°. In the crystal, pairs of O-H?O hydrogen bonds link mol-ecules into dimers that are further connected by C-H?O and C-H?F inter-actions into (001) layers. In addition, ?-? stacking inter-actions are observed within a layer between the pyridine and benzene rings [centroid-centroid distance = 3.768?(2)?Å]. The F atoms of the trifluoro-methyl group are disordered over two sets of sites in a 0.53?(4):0.47?(4) ratio.

| S-EPMC3515258 | biostudies-literature

(Z)-3-[(2-Fluoro-anilino)carbon-yl]prop-2-enoic acid.

Project description:In the title mol-ecule, C(10)H(8)FNO(3), the dihedral angle between the fluoro-phenyl group and the essentially planar [within 0.064?(3)?Å] COC=CCOOH unit, which has a Z configuration, is 19.99?(14)°. There is an intra-molecular O-H?O bond in the mol-ecule involving the acid -OH group and the adjacent carbonyl O atom. In the crystal, inter-molecular N-H?O bonds lead to the formation of polymer chains propagating along [011].

| S-EPMC3051683 | 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

(2E)-1-(6-Chloro-2-methyl-4-phenyl-quinolin-3-yl)-3-(4-chloro-phen-yl)prop-2-en-1-one.

Project description:Two independent mol-ecules comprise the asymmetric unit of the title chalcone, C(25)H(17)Cl(2)NO, and while each has an E configuration about the ethyl-ene double bond, they differ in the relative orientations of the carbonyl and ethyl-ene double bonds within the prop-2-en-1-one residues, i.e. anti and syn. For each mol-ecule, the benzene [dihedral angles = 71.04?(9) and 73.34?(12)°] and prop-2-en-1-one [C-C-C-O = 91.2?(2) and -119.1?(3)°] substituents are twisted out of the plane of the quinoline moiety to which they are attached. The crystal structure is stabilized by C-H?? and ?-? [Cg(quinoline)?Cg(quinoline) = 3.7809?(12) and 3.8446?(11)?Å] inter-actions.

| S-EPMC3052117 | 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

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