Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-(4-Chloro-phen-yl)-3-(5-methyl-2-fur-yl)prop-2-en-1-one.

ABSTRACT: The title compound, C(14)H(11)ClO(2), was prepared from 4-chloro-hypnone and 5-methyl-furfural by an aldol condensation reaction. The dihedral angle formed between the two benzene rings is 7.71?(2)°. The crystal structure is stabilized by C-H?O inter-actions.

SUBMITTER: Guo HM

PROVIDER: S-EPMC2971048 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-(4-Chloro-phen-yl)-3-(5-methyl-2-fur-yl)prop-2-en-1-one.

Guo Huan-Mei HM

Acta crystallographica. Section E, Structure reports online 20091031 Pt 11

The title compound, C(14)H(11)ClO(2), was prepared from 4-chloro-hypnone and 5-methyl-furfural by an aldol condensation reaction. The dihedral angle formed between the two benzene rings is 7.71 (2)°. The crystal structure is stabilized by C-H⋯O inter-actions. ...[more]

PMID: 21578499

Similar Datasets

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

Project description:The title compound, C(13)H(9)ClO(2), adopts an E configuration with respect to the C=C double bond of the propenone unit. The benzene and furyl rings are twisted slightly from each other, making a dihedral angle of 6.47 (7)°. Intra-molecular C-H⋯O and C-H⋯Cl hydrogen bonds generate an S(5)S(5)S(5) ring motif. In the crystal structure, mol-ecules are stacked along the b axis and weak inter-molecular C-H⋯O hydrogen bonds are observed.

| S-EPMC2962097 | 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)-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

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

Project description:In the title mol-ecule, C(13)H(9)ClO(2), the benzene and furyl rings are slightly twisted from each other with a dihedral angle of 5.1?(1)°. An intra-molecular C-H?O hydrogen-bond inter-action generates an S(5) ring motif. In the crystal structure, mol-ecules are stacked along the b axis and the crystal packing is stabilized by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC2962155 | biostudies-other

1-(4-Chloro-phen-yl)-3-(3,4-dimethyl-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(17)H(15)ClO, was prepared from 3,4-dimethyl-benzaldehyde and 4-chloro-hypnone by Aldol condensation. The dihedral angle formed by the two benzene rings is 48.91 (8)°. Only van der Waals forces affect the packing.

| S-EPMC3008096 | 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

(E)-3-(3,4-Dimethoxy-phen-yl)-1-(2-fur-yl)prop-2-en-1-one.

Project description:In the title mol-ecule, C(15)H(14)O(4), the benzene and furyl rings are inclined to each other with a dihedral angle of 41.5?(1)°. An intra-molecular C-H?O hydrogen-bond inter-action generates an S(5) ring motif. In the crystal structure, mol-ecules are stacked along the b axis and the crystal packing is stabilized by inter-molecular C-H?O and C-H?? inter-actions. In addition, ?-? stacking inter-actions with a centroid-to-centroid distance of 3.5855?(11)?Å are observed.

| S-EPMC2962066 | biostudies-literature

(E)-3-(2-Fur-yl)-1-(2-hydroxy-phen-yl)prop-2-en-1-one.

Project description:In the title mol-ecule, C(13)H(10)O(3), an intra-molecular O-H?O hydrogen bond influences the mol-ecular conformation, and the benzene and furan rings form a dihedral angle of 8.35?(7)°. Weak inter-molecular C-H?O hydrogen bonds link mol-ecules into sheets parallel to the bc plane.

| S-EPMC2959741 | biostudies-literature

(E)-1-(4-Bromo-phen-yl)-3-(2-fur-yl)prop-2-en-1-one.

Project description:In the title compound, C(13)H(9)BrO(2), the benzene and furan rings form a dihedral angle of 44.35?(14)°. The crystal packing exhibits no significantly short inter-molecular contacts.

| S-EPMC2977766 | 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