Browse
Submit Data
Databases
API
Help

Dataset Information

20 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(Z)-1-Acetyl-3-[2-oxo-1-phenyl-2-(3-pyrid-yl)ethyl-idene]indolin-2-one.

ABSTRACT: The title compound, C(23)H(16)N(2)O(3), exists in a Z configuration with respect to the acyclic C=C bond. The pyridine and phenyl rings are oriented at dihedral angles of 72.97 (4) and 45.05 (4)°, respectively, with respect to the almost planar indoline ring system [maximum deviation 0.080 (1) Å]. The pyridine and phenyl rings are oriented almost perpendicular to each other [dihedral angle 88.93 (5)°]. In the crystal, mol-ecules are inter-connected into a three-dimensional framework via inter-molecular C-H⋯O and C-H⋯N hydrogen bonds and weak π-π inter-actions [centroid-centroid distance = 3.681 (1) Å].

SUBMITTER: Fun HK

PROVIDER: S-EPMC3007968 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

3-(2-Ethyl-2-phenyl-hydrazin-1-yl-idene)indolin-2-one.

Project description:In the title compound, C16H15N3O, the dihedral angle between the indole ring system (r.m.s. deviation = 0.020?Å) and the phenyl ring is 14.49?(9)°. The mol-ecular conformation is supported by an intra-molecular C-H?O inter-action, which closes an S(7) ring. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds generate R2(2)(8) loops.

| S-EPMC3589046 | biostudies-literature

(E)-3-(1-Phenyl-ethyl-idene)indolin-2-one.

Project description:In the title mol-ecule, C(16)H(13)NO, the indoline-2-one ring system is nearly planar [maximum atomic deviation = 0.082?(2)?Å] and is oriented at a dihedral angle of 66.60?(12)° with respect to the phenyl ring. In the crystal, inter-molecular N-H?O hydrogen bonds link the mol-ecules into supra-molecular dimers.

| S-EPMC3247342 | biostudies-literature

[1-Phenyl-2-(4-pyrid-yl)ethyl-idene]hydrazine.

Project description:The title compound, C(13)H(13)N(3), is non-planar, with the pyridine and phenyl rings inclined at an angle of 80.7 (3)°. The central ethyl-idenehydrazine atoms lie in a plane [mean deviation = 0.013 (1) Å], which forms dihedral angles of 88.5 (1) and 9.4 (1)° with the pyridine and phenyl rings, respectively. In the crystal structure, mol-ecules are linked by inter-molecular N-H⋯N hydrogen bonds into infinite chains propagating along the b axis.

| S-EPMC2977769 | biostudies-literature

Ethyl N-(2-acetyl-3-oxo-1-phenyl-but-yl)carbamate.

Project description:In the title compound, C15H19NO4, all three carbonyl groups are syn-oriented with respect to the methine group attached to the phenyl ring. The mean planes of the phenyl ring and ethyl carbamate moiety form a dihedral angle of 65.2?(1)°. In the crystal, mol-ecules related by translation in [100] are linked into chains via N-H?O hydrogen bonds.

| S-EPMC3790398 | biostudies-literature

1-Acetyl-3-[2-(2,3,5,6-tetra-fluoro-phen-yl)hydrazin-1-yl-idene]indolin-2-one.

Project description:In the title compound, C(16)H(9)F(4)N(3)O(2), the dihedral angle between the aromatic ring systems is 4.10 (14)° and a bifurcated intra-molecular N-H⋯(O,F) hydrogen bond generates an S(6) ring for the O-atom acceptor and an S(5) ring for the F-atom acceptor. A short C-H⋯O conact also occurs. In the crystal, mol-ecules are linked by C-H⋯O inter-actions.

| S-EPMC3006959 | biostudies-literature

(Z)-3-Hydrazinyl-idene-1-phenyl-indolin-2-one.

Project description:The indoline fused-ring system of the title Schiff base, C(14)H(11)N(3)O, is planar (r.m.s. deviation = 0.005?Å); the phenyl substituent is aligned at 66.5?(1)° with respect to the ring system. The amino -NH(2) unit forms an intra-molecular hydrogen bond with the carbonyl O atom. Mol-ecules are connected by an inter-molecular N-H?N hydrogen bond, generating a zigzag chain that runs along the short c axis of the unit cell.

| S-EPMC3009040 | biostudies-literature

Ethyl 4-acetyl-5-oxo-3-phenyl-hexa-noate.

Project description:The reaction of ethyl 3-bromo-3-phenyl-propano-ate with pentane-2,4-dione, in the presence of palladium(II) acetate and triphenyl-phosphine, in dimethyl-formamide, unexpectedly gave the title product, C(16)H(20)O(4). The mol-ecule contains one chiral C atom but the crystal is racemic. In the crystal, neighboring mol-ecules form a chain along [100] through three weak C-H⋯O inter-actions. Furthermore, a double-stranded structure is formed through weak C-H⋯O inter-actions between two parallel chains.

| S-EPMC3099969 | biostudies-literature

N'-[1-(2-Pyrid-yl)ethyl-idene]nicotino-hydrazide.

Project description:In the the title compound, C(13)H(12)N(4)O, the dihedral angle between the aromatic ring planes is 21.7?(3)°. In the crystal structure, interm-olecular N-H?O hydrogen bonds lead to C(4) chains.

| S-EPMC2915023 | biostudies-literature

(Z)-3-[(E)-3-Phenyl-allyl-idene]indolin-2-one.

Project description:The title compound, C(17)H(13)NO, synthesized to be tested for neuroprotective activities, consists of an indoline and a phenyl-allyl-idene unit with a dihedral angle of 9.0?(1)° between the two ring systems. There are two independent mol-ecules in the asymmetric unit which are connected into a dimer by inter-molecular N-H?O hydrogen bonds.

| S-EPMC2968140 | biostudies-literature

5-Fluoro-3-(2-phenyl-hydrazinyl-idene)indolin-2-one.

Project description:In the title compound, C(14)H(10)FN(3)O, the six- and five-membered rings of the isatin moiety and the six-membered ring of phenyl-hydrazone are nearly planar with r.m.s. deviations of 0.0003, 0.0004 and 0.007?Å, respectively. The dihedral angle between the phenyl ring and the isatin ring system is 6.09?(9)°. The mol-ecular structure is stabilized by a strong intra-molecular N-H?O hydrogen bond, leading to the formation of a pseudo-six-membered ring, generating an S(6) ring. The crystal structure features inter-molecular N-H?O inter-actions.

| S-EPMC3120488 | 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