Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Zhang LP

PROVIDER: S-EPMC2961639 | biostudies-literature | 2008 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Zhang Li-Ping LP Wei Lin-Juan LJ Chen Ming-Qing MQ Zhang Zhan-Hui ZH

Acta crystallographica. Section E, Structure reports online 20080621 Pt 7

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⋯π inter-actions, which link the mol-ecules into a herringbone arrangement. ...[more]

PMID: 21202951

Similar Datasets

3-Anilino-1,3-di-2-pyridylpropan-1-one.

Project description:The title compound, C(19)H(17)N(3)O, was prepared by the 1,4-addition reaction of 1,3-di-2-pyridylprop-2-en-1-one with aniline, and includes one chiral C atom of the methine group with an R configuration. The crystal structure is stabilized by inter-molecular N-H?N and C-H?O hydrogen bonds. The crystal structure also exhibits weak inter-molecular C-H?? inter-actions between a pyridyl H atom and the phenyl ring of adjacent mol-ecules.

| S-EPMC2971067 | 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

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

3-(4-Chloro-anilino)-5,5-dimethyl-cyclo-hex-2-en-1-one.

Project description:The asymmetric unit of the title compound, C(14)H(16)ClNO, contains two independent mol-ecules, both with the cyclo-hexene ring in a sofa conformation. In the crystal, N-H?O hydrogen bonds link the mol-ecules related by translation along the a axis into two crystallographically independent chains. Weak C-H?? inter-actions are also observed.

| S-EPMC3344021 | 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

3-(4-Chloro-anilino)-2,5-dimethyl-cyclo-hex-2-en-1-one.

Project description:In the title compound, C(14)H(16)ClNO, the dihedral angle between the benzene ring and the conjugated part of the cyclo-hexene ring is 61.7?(2)°. Part of the cyclo-hexene ring and one of the attached methyl groups are disordered over two orientations with occupancies of 0.602?(7) and 0.398?(7). In addition, the crystal studied was a racemic twin [Flack parameter = 0.58?(4)]. In the crystal, the mol-ecules are linked into chains in the b-axis direction by inter-molecular N-H?O hydrogen bonds. C-H?O and C-H?Cl inter-actions are also observed.

| S-EPMC3089366 | biostudies-literature

(Z)-4-(2,5-Di-tert-butyl-anilino)pent-3-en-2-one.

Project description:In the crystal structure of the title ketoamine, C(19)H(29)NO, the bond lengths from the N atom through the alkene group to the ketone O atom show the presence of an extensively delocalized ?-system. The dihedral angle between the plane of the phenyl ring and that of the alkene component is 63.45?(7)° due to steric hindrance exerted by the tert-butyl groups. The mol-ecule has a Z-configured alkene function, which is facilitated by an intra-molecular N-H?O hydrogen bond between the amine and ketone groups. The mol-ecules are linked into extended chains, which run parallel to the [010] direction, by a very weak C-H?O inter-action between the methyl substituent of the alkene group and the ketone O atom of a neighbouring mol-ecule.

| S-EPMC3120447 | biostudies-literature

(Z)-3-(2-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 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.

| S-EPMC2983638 | 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