Browse
Submit Data
Databases
API
Help

Dataset Information

22 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: In the title compound, C(26)H(20)ClNO(2), the quinoline ring system and the methoxy-phenyl ring form dihedral angles of 69.97?(6) and 22.10?(10)°, respectively, with the propenone linkage. The 4-phenyl ring substituent on the quinoline ring system is oriented at a dihedral angle of 66.47?(3)°. In the crystal, mol-ecules exist as C-H?O hydrogen-bonded dimers. The structure is further stabilized by C-H?? inter-actions.

SUBMITTER: Loh WS

PROVIDER: S-EPMC2979743 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Loh Wan-Sin WS Fun Hoong-Kun HK Sarveswari S S Vijayakumar V V Reddy B Palakshi BP

Acta crystallographica. Section E, Structure reports online 20100113 Pt 2

In the title compound, C(26)H(20)ClNO(2), the quinoline ring system and the methoxy-phenyl ring form dihedral angles of 69.97 (6) and 22.10 (10)°, respectively, with the propenone linkage. The 4-phenyl ring substituent on the quinoline ring system is oriented at a dihedral angle of 66.47 (3)°. In the crystal, mol-ecules exist as C-H⋯O hydrogen-bonded dimers. The structure is further stabilized by C-H⋯π inter-actions. ...[more]

PMID: 21579780

Similar Datasets

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

Project description:In the title compound, C(27)H(22)ClNO(2), the phenyl substituent on the quinoline ring system is almost perpendicular to it [dihedral angle = 88.2?(1)°]. The quinoline ring system and the ethoxy-phenyl ring are oriented at dihedral angles of 79.5?(1) and 17.6?(3)°, respectively, with respect to the almost planar [r.m.s. deviation= 0.037?(3)?Å] -C(=O)-C=C- linkage. In the crystal, the inversion-related mol-ecules exist as C-H?O hydrogen-bonded R(2) (2)(8) dimers.

| S-EPMC2979678 | biostudies-literature

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

Project description:In the title compound, C(26)H(20)ClNO(2), the quinoline ring system is approximately planar with a maximum deviation of 0.028?(2)?Å and forms a dihedral angle of 73.84?(5)° with the phenyl ring. Two neighbouring mol-ecules are arranged into a centrosymmetric dimer through a pair of inter-molecular C-H?Cl inter-actions. A pair of inter-molecular C-H?O hydrogen bonds link two methoxy-phenyl groups into another centrosymmetric dimer, generating an R(2) (2)(8) ring motif. The structure is further stabilized by C-H?? inter-actions.

| S-EPMC2979994 | biostudies-literature

(2E)-3-(4-Bromo-phen-yl)-1-(2-methyl-4-phenyl-3-quinol-yl)prop-2-en-1-one.

Project description:The conformation about the ethene bond [1.316?(3)?Å] in the title compound, C(25)H(18)BrNO, is E. The quinoline ring forms dihedral angles of 67.21?(10) and 71.68?(10)° with the benzene and bromo-substituted benzene rings, respectively. Highlighting the non-planar arrangement of aromatic rings, the dihedral angle formed between the benzene rings is 58.57?(12)°.

| S-EPMC2979249 | 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 ?-? inter-actions with a centroid-centroid distance of 3.7098?(6)?Å. C-H?O and C-H?? inter-actions are formed between neighbouring mol-ecules.

| S-EPMC2962150 | 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

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

(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-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

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

Project description:The title compound, C(16)H(13)ClO, adopts an E configuration with respect to the C=C double bond of the propenone unit. The dihedral angle between the two benzene rings is 45.9?(2)°. In the crystal structure, mol-ecules are arranged into sheets parallel to the ac plane and the sheets are stacked along the b axis. This arrangement is stabilized by weak inter-molecular C-H?? inter-actions involving both aromatic rings.

| S-EPMC2961484 | biostudies-literature

(2E)-3-(2-Chloro-6-methyl-3-quinol-yl)-1-(1-naphth-yl)prop-2-en-1-one.

Project description:In the title mol-ecule, C(23)H(16)ClNO, the quinoline and naphthalene ring systems are individually planar, with maximum deviations of 0.020?(2) and 0.033?(2)?Å, respectively, and are inclined at a dihedral angle of 30.01?(4)°. Intra-molecular C-H?O and C-H?Cl inter-actions occur. The crystal structure is devoid of any classical hydrogen bonds, but symmetry-related mol-ecules are linked via weak C-H?Cl inter-actions, forming chains propagating in [001].

| S-EPMC2984001 | 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