Browse
Submit Data
Databases
API
Help

Dataset Information

10 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Fun HK

PROVIDER: S-EPMC2962097 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

(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-literature

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

Project description: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.

| S-EPMC2971048 | 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

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

(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

(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)-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⋯π inter-actions. In addition, π-π stacking inter-actions with a centroid-to-centroid distance of 3.5855 (11) Å are observed.

| S-EPMC2962066 | biostudies-literature

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

Project description:In the title chalcone derivative, C(15)H(9)Cl(3)O, the dihedral angle between the 2-chloro-phenyl and 2,4-dichloro-phenyl rings is 41.79?(14)°. Weak C-H?O and C-H?Cl intra-molecular inter-actions involving the enone unit generate S(5) ring motifs. In the crystal structure, the mol-ecules are arranged in a head-to-tail manner along the a axis. These chains are stacked along the b axis.

| S-EPMC2961590 | biostudies-literature

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

Project description:In the title compound, C(15)H(10)BrClO, the dihedral angle between mean planes of the bromo- and chloro-substituted benzene rings is 46.2?(2)° compared to 45.20?(9)° in the structure with the Cl substituent in the meta position of the aromatic ring. The dihedral angles between the mean plane of the prop-2-ene-1-one group and the mean planes of the 4-bromo-phenyl and 3-chloro-phenyl rings are 28.7?(5) and 24.2?(4)°, respectively. In the crystal, weak inter-molecular C-H?? inter-actions occur.

| S-EPMC2980037 | 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