Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Abdel-Aziz HA

PROVIDER: S-EPMC3009040 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Abdel-Aziz Hatem A HA Bari Ahmed A Aboul-Fadl T T Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20101031 Pt 11

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. ...[more]

PMID: 21589173

Similar Datasets

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

(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

(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

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-Amino-4-(2-phenyl-hydrazinyl-idene)-1H-pyrazol-5(4H)-one.

Project description:The mol-ecule of the title compound, C(9)H(9)N(5)O, is essentially planar (r.m.s. deviation of all atoms = 0.02?Å) except for the NH(2) H atoms. An intra-molecular hydrazinyl-idene-carbonyl N-H?O=C hydrogen bond is present. In the crystal, mol-ecules are connected via N-H?N/O hydrogen bonds, forming thick layers parallel to (100).

| S-EPMC3569249 | biostudies-literature

3-(Phenyl-imino)indolin-2-one.

Project description:The imino C=N double bond in the title compound, C(14)H(10)N(2)O, exists in an E conformation, with the phenyl ring being twisted by 80.7?(1)° in one independent mol-ecule and by 81.4?(1)° in the other with respect to the plane of the indoline fused-ring system. The two independent mol-ecules are linked by N-H?O hydrogen bonds, forming a zigzag chain running along the a axis.

| S-EPMC2979714 | biostudies-literature

3-[(E)-Benzyl-idene]indolin-2-one.

Project description:In the title indolin-2-one derivative, C(15)H(11)NO, the phenyl ring and the oxoindoline fused-ring system (r.m.s. deviation = 0.011?Å) are aligned at 48.52?(6)°. In the crystal, inversion-related mol-ecules form an N-H?O hydrogen-bonded dimer via an eight-membered {?HNCO}(2) synthon. The dimeric aggregates are linked into a three-dimensional architecture via C-H?O and ?-? inter-actions between the five- and six-membered rings of the fused ring system, with an inter-centroid distance of 3.4538?(8)?Å.

| S-EPMC3393289 | biostudies-literature

3-(Diphenyl-methyl-idene)indolin-2-one.

Project description:The title mol-ecule, C(21)H(15)NO, has an indoline-2-one and two benzene substituent groups which are arranged in a propeller-like fashion around the central C atom. The dihedral angle between the two benzene rings is 73.32?(16)° and those between the benzene rings and the indoline-2-one group are 76.54?(14) and 67.69?(14)°. In the crystal, there is an inter-molecular N-H?O hydrogen-bonding inter-action, which links the mol-ecules into chains extending along c.

| S-EPMC3213540 | biostudies-literature

Crystal structure of (3E)-5-nitro-3-(2-phenyl-hydrazinyl-idene)-1H-indol-2(3H)-one.

Project description:The reaction between 5-nitro-isatin and phenyl-hydrazine in acidic ethanol yields the title compound, C14H10N4O3, whose mol-ecular structure deviates slightly from a planar geometry (r.m.s. deviation = 0.065?Å for the mean plane through all non-H atoms). An intra-molecular N-H?O hydrogen bond is present, forming a ring of graph-set motif S(6). In the crystal, mol-ecules are linked by N-H?O and C-H?O hydrogen-bonding inter-actions into a two-dimensional network along (120), and rings of graph-set motif R22(8), R22(26) and R44(32) are observed. Additionally, a Hirshfeld surface analysis suggests that the mol-ecules are stacked along [100] through C=O?Cg inter-actions and indicates that the most important contributions for the crystal structure are O?H (28.5%) and H?H (26.7%) inter-actions. An in silico evaluation of the title compound with the DHFR enzyme (di-hydro-folate reductase) was performed. The isatin-hydrazone derivative and the active site of the selected enzyme show N-H?O(ASP29), N-H?O(ILE96) and Cg?Cg(PHE33) inter-actions.

| S-EPMC5290558 | biostudies-literature

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

Project description: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].

| S-EPMC3007968 | 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