Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(Z)-3-(2-Methoxy-anilino)-1-phenyl-but-2-en-1-one.

ABSTRACT: In the title compound, C(17)H(17)NO(2), the dihedral angle between the two benzene rings is 55.2?(2)°. The meth-oxy group is slightly twisted away from the aniline ring [dihedral angle = 10.3?(2)°]. An intra-molecular N-H?O inter-action is present. In the crystal, the mol-ecules are linked into a three-dimensional supra-molecular network through two sets of C-H?? inter-actions.

SUBMITTER: Zhang LP

PROVIDER: S-EPMC2983638 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(Z)-3-(2-Methoxy-anilino)-1-phenyl-but-2-en-1-one.

Zhang Li-Ping LP Qi Li-Yun LY Fang Yun Y

Acta crystallographica. Section E, Structure reports online 20100210 Pt 3

In the title compound, C(17)H(17)NO(2), the dihedral angle between the two benzene rings is 55.2 (2)°. The meth-oxy group is slightly twisted away from the aniline ring [dihedral angle = 10.3 (2)°]. An intra-molecular N-H⋯O inter-action is present. In the crystal, the mol-ecules are linked into a three-dimensional supra-molecular network through two sets of C-H⋯π inter-actions. ...[more]

PMID: 21580343

Similar Datasets

(Z)-3-(4-Methoxy-anilino)-1-phenyl-but-2-en-1-one.

Project description:In the title compound, C(17)H(17)NO(2), the dihedral angle between the two benzene rings is 6.9 (1)°. The meth-oxy group is twisted slightly away from the aniline ring [C-O-C-C = 12.2 (3)°]. An intra-molecular N-H⋯O hydrogen bond generating an S(6) ring is observed. The crystal packing is stabilized by weak C-H⋯O and C-H⋯π inter-actions, forming a two-dimensional network.

| S-EPMC2979991 | biostudies-literature

(Z)-3-(2-Amino-anilino)-1-phenyl-but-2-en-1-one.

Project description:In the title compound, C16H16N2O, the phenyl and 2-amino-phenyl rings are almost perpendicular to one another, with a dihedral angle of 82.77?(8)°. There is an intra-molecular N-H?O hydrogen bond in the mol-ecule. In the crystal, mol-ecules are linked via N-H?O hydrogen bonds forming chains along [001]. There are also C-H?? inter-actions present, linking the chains to form a three-dimensional structure.

| S-EPMC3648304 | biostudies-literature

4-(2,3-Dimethyl-anilino)pent-3-en-2-one.

Project description:In the title compound, C(13)H(17)NO, the dihedral angle between the aryl ring and the amino-acryl-aldehyde mean plane [N-C=C-C=O; maximum deviation = 0.0144?(9)?Å] is 53.43?(4)°. There is an intra-molecular N-H?O hydrogen bond involving the amine and carbonyl groups. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming chains propagating along [001].

| S-EPMC3470305 | biostudies-literature

(Z)-3-Anilino-1,3-diphenylprop-2-en-1-one.

Project description:In the title compound, C(21)H(17)NO, the phenyl ring directly linked to the carbonyl group is oriented at an angle of 7.3?(2)° with respect to the aniline ring, and at an angle of 55.6?(2)° with respect to the other phenyl ring. There is an intra-molecular hydrogen bond involving the NH group and the carbonyl O atom. The crystal structure is stabilized by weak C-H?? inter-actions, which link the mol-ecules into a herringbone arrangement.

| S-EPMC2961639 | biostudies-literature

4-(2-Methyl-anilino)pent-3-en-2-one.

Project description:The title enamino ketone, C(12)H(15)NO, a derivative of 4-(phenyl-amino)-pent-3-en-2-one, presents a roughly planar [greatest displacement of an atom from the pentenone plane is 0.033 (2) Å] pentenone backbone, enhanced by an intra-molecular N-H⋯O hydrogen bond; the asymmetry in C-C distances in the group suggests the presence of unsaturated bonds. The overall geometry in the free ligand differs significantly from that in other reported compounds, in which it is coordinated to rhodium; this is reflected in the bond distances [the N⋯O distance is significantly increased (0.2 Å) upon coordination to the metal] and the dihedral angle between the benzene ring and the pentenone backbone [49.53 (5)°]. All of the methyl goups are rotationally disordered over two orientations of equal occupancy.

| S-EPMC3006949 | biostudies-literature

(Z)-3-(4-Bromo-anilino)-1-ferrocenylbut-2-en-1-one.

Project description:In the title compound, [Fe(C(5)H(5))(C(15)H(13)BrNO)], formed from the reaction of ferrocenoylacetone and 4-bromo-aniline, the mol-ecular structure is stabilized by an intra-molecular N-H?O hydrogen bond between the amine and carbonyl groups.

| S-EPMC3011761 | biostudies-literature

(Z)-4-(2-Hy-droxy-anilino)pent-3-en-2-one.

Project description:In the title compound, C(11)H(13)NO(2), the dihedral angle between the planes defined by the 2-hy-droxy-phenyl-amino group and the pent-3-en-2-one mean plane [maximum deviations = 0.0275 (19) and 0.054 (2) Å, respectively] is 31.01 (10)°. There are intra-molecular bifurcated N-H⋯(O,O) hydrogen bonds involving the amine NH group and the adjacent carbonyl and hy-droxy O atoms. In the crystal, mol-ecules are linked via O-H⋯O hydrogen bonds, forming chains propagating along [100].

| S-EPMC3393989 | biostudies-literature

4-(2-Chloro-anilino)-3-phenyl-furan-2(5H)-one.

Project description:The title compound, C(16)H(12)ClNO(2), featuring a furan-2(5H)-one (?-butyrolactone) core, contains two mol-ecules (A and B) in the asymmetric unit, with different dihedral angles between the central ring and the pendant phenyl and chloro-benzene rings [43.33?(8) and 20.16?(8)°, respectively, for A, and 47.79?(8) and 13.87?(8)°, respectively, for B]. In the crystal, the A mol-ecules are linked into [001] chains by single C-H?O inter-actions. The B mol-ecules also form [001] chains, but their relative orientations in the chains are quite different to those of the A mol-ecules so that adjacent B mol-ecules are linked by two C-H?O hydrogen bonds. Finally, C-H?O inter-actions and aromatic ?-? stacking contacts [centroid-centroid separations = 3.754?(1) and 3.817?(1)?Å] link the chains into a two-dimensional array parallel to (010).

| S-EPMC3247478 | 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

(2Z)-3-(4-Fluoro-anilino)-1-(5-hy-droxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)but-2-en-1-one.

Project description:The central carbonyl group in the title compound, C(20)H(18)FN(3)O(2), forms amine-hy-droxy N-H?O and hy-droxy-hy-droxy O-H?O hydrogen bonds, leading to two S(6) rings. The N-bound phenyl ring is coplanar with the five-membered ring to which it is attached [dihedral angle = 6.27?(10)°], but an overall twist in the mol-ecule is evident, the dihedral angle between the terminal phenyl and benzene rings being 27.30?(10)°. Mol-ecules aggregate into a three-dimensional architecture via C-H?F, C-H?O and C-H?? inter-actions.

| S-EPMC3295528 | 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