Browse
Submit Data
Databases
API
Help

Dataset Information

14 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-(1-Benzofuran-2-yl)ethanone O-(4-chloro-benz-yl)oxime.

ABSTRACT: In the title compound, C(17)H(14)ClNO(2), the p-chloro-benz-yloxy residue assumes an E conformation with respect to the benzofuran system. The carbo- and heterocyclic systems make a dihedral angle of 47.99?(4)°. In the crystal, there are no significant intermolecular interactions present.

SUBMITTER: Kosmalski T

PROVIDER: S-EPMC3515271 | biostudies-literature | 2012 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-(1-Benzofuran-2-yl)ethanone O-(4-chloro-benz-yl)oxime.

Kosmalski Tomasz T Gzella Andrzej K AK

Acta crystallographica. Section E, Structure reports online 20121020 Pt 11

In the title compound, C(17)H(14)ClNO(2), the p-chloro-benz-yloxy residue assumes an E conformation with respect to the benzofuran system. The carbo- and heterocyclic systems make a dihedral angle of 47.99 (4)°. In the crystal, there are no significant intermolecular interactions present. ...[more]

PMID: 23284491

Similar Datasets

1-(1-Benzo-furan-2-yl)ethanone O-(2,6-di-fluoro-benz-yl)oxime.

Project description:In the title compound, C17H13F2NO2, the 2,2-di-fluoro-benz-yloxy residue assumes an E configuration with respect to the benzo-furan system. The benzene ring makes a dihedral angle of 61.70?(4)° with the fused ring system (r.m.s. deviation = 0.008?Å). In the crystal, mol-ecules are connected by weak C-H?F hydrogen bonds into chains extending parallel to the b-axis direction.

| S-EPMC3914113 | biostudies-literature

2-Chloro-1-[4-(2-fluoro-benz-yl)piperazin-1-yl]ethanone.

Project description:In the title compound, C(13)H(16)ClFN(2)O, the piperazine ring is flanked by 1-(2-fluoro-benz-yl)piperazine and adopts a chair conformation. The dihedral angle between the fluoro-phenyl ring and the four planar C atoms (r.m.s. = 0.0055?Å) of the piperazine chair is 78.27?(7)°, whereas the dihedral angle between the four planar C atoms of the piperazine chair and the ethanone plane is 55.21?(9)?Å; the Cl atom displaced by1.589?(2)?Å out of the plane.

| S-EPMC3052134 | biostudies-literature

2-Chloro-1-[4-(2,4-difluoro-benz-yl)piperazin-1-yl]ethanone.

Project description:In the title mol-ecule, C(13)H(15)ClF(2)N(2)O, the piperazine ring is in a chair conformation with the 2,4-difluoro-benzyl and chloro-acetyl substituents in equatorial positions.

| S-EPMC3254425 | biostudies-literature

1-(4-{[(E)-5-Chloro-2-hy-droxy-benzyl-idene]amino}-phen-yl)ethanone oxime.

Project description:The title compound, C(15)H(13)ClN(2)O(2), is an aromatic Schiff base having an aldoxime substituent; the two rings on the azomethine linkage are twisted by 44.4?(1)°. The phenolic H atom is intra-molecularly hydrogen bonded to the azomethine N atom, generating an S(6) ring. In the crystal, inversion dimers linked by pairs of O-H?N hydrogen bonds occur. The crystal studied was a non-merohedral twin with a 35% minor component.

| S-EPMC2983254 | biostudies-literature

1-(1-Benzofuran-2-yl)-2-(phenyl-sulfon-yl)ethanone.

Project description:The overall mol-ecular conformation of the title compound, C(16)H(12)O(4)S, is elongated, the dihedral angle formed between the benzofuran (r.m.s. deviation = 0.018?Å) and benzene rings being 24.81?(6)°. Both sulfonyl O atoms lie to one side of the S-bound benzene ring, and the carbonyl and furan O atoms are syn to each other. Supra-molecular arrays parallel to (101) sustained by C-H?O contacts feature in the crystal packing.

| S-EPMC3201267 | biostudies-literature

1-(5-Bromo-1-benzofuran-2-yl)ethanone.

Project description:The title compound, C(10)H(7)BrO(2), is approximately planar (r.m.s. deviation = 0.057?Å for the 13 non-H atoms). In the crystal, mol-ecules are linked via C-H?O hydrogen bonds into C(5) chains propagating in [100].

| S-EPMC3379278 | biostudies-literature

(Z)-1-(4-Methyl-phen-yl)-2-(phenyl-sulfon-yl)ethanone oxime.

Project description:The mol-ecule of the title compound, C(15)H(15)NO(3)S, has a twisted U-shaped conformation: the twist occurs at the central C-S(=O)(2)-C-C-C unit and the benzene ring makes a dihedral angle of 28.74?(7)° with the phenyl ring. The S-C-C=N torsion angle is -88.95?(13)°. In the crystal, inversion dimers linked by pairs of O-H?N hydrogen bonds generate R(2) (2)(6) loops, and C-H?O hydrogen bonds connect the dimers into a three-dimensional network.

| S-EPMC3414300 | biostudies-literature

2-(1H-Benzimidazol-1-yl)-1-(2-fur-yl)ethanone O-ethyl-oxime.

Project description:In the mol-ecule of the title compound, C(15)H(15)N(3)O(2), the planar benzimidazole ring system [maximum deviation = 0.023?(2)?Å] is oriented at a dihedral angle of 74.21?(5)° with respect to the furan ring. In the crystal structure, inter-molecular C-H?N inter-actions link the mol-ecules into centrosymmetric R(2) (2)(18) dimers. In addition, the structure is stabilized by ?-? contacts between parallel imidazole rings [centroid-centroid distance = 3.726?(1)?Å] and a weak C-H?? inter-action.

| S-EPMC2969343 | biostudies-literature

2-(4-Chloro-anilino)-1-(4-chloro-phen-yl)ethanone.

Project description:In the title compound, C(14)H(11)Cl(2)NO, the benzene rings form a dihedral angle of 3.14?(6)°. Overall, the mol-ecule is close to being planar (r.m.s. deviation for all the non-H atoms = 0.054?Å). No significant directional inter-molecular inter-actions are observed in the crystal structure.

| S-EPMC3239017 | biostudies-literature

Chlorido[1-(pyridin-2-yl)ethanone oximato-?N,N'][1-(2-pyrid-yl)ethanone oxime-?N,N']copper(II) trihydrate.

Project description:In the title compound, [Cu(C(7)H(7)N(2)O)Cl(C(7)H(8)N(2)O)]·3H(2)O, the metal ion is five-coordinated by the N atoms from the 1-(pyridin-2-yl)ethanone oximate and 1-(pyridin-2-yl)ethanone oxime ligands and by the chloride anion in a distorted square-pyramidal geometry. The distortion parameter is 0.192. The two organic ligands are linked by an intra-molecular O-H?O hydrogen bond. In the crystal, mol-ecules are linked by O-H?O and O-H?Cl hydrogen bonds. The title compound is the hydrated form of a previously reported structure [Wu & Wu (2008 ?). Acta Cryst. E64, m828]. There are only slight variations in the mol-ecular geometries of the two compounds.

| S-EPMC3238715 | 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