Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

5-Bromo-1-methyl-indolin-2-one.

ABSTRACT: The title mol-ecule, C(9)H(8)BrNO, approximates a full planar conformation. The inter-planar angle between the benzene and five-membered rings of the indoline system is 1.38?(1)°. There is an obvious ?-delocalization involving the N-C=O group in the five-membered ring, which is greater than that involving the N-C C(benzene) group.

SUBMITTER: Yuan MS

PROVIDER: S-EPMC2969440 | biostudies-literature | 2009 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

5-Bromo-1-methyl-indolin-2-one.

Yuan Mao-Sen MS Shuai Qi Q Wang Lin L Li Xiao-Zhou XZ Yu Rui-Jin RJ

Acta crystallographica. Section E, Structure reports online 20090613 Pt 7

The title mol-ecule, C(9)H(8)BrNO, approximates a full planar conformation. The inter-planar angle between the benzene and five-membered rings of the indoline system is 1.38 (1)°. There is an obvious π-delocalization involving the N-C=O group in the five-membered ring, which is greater than that involving the N-C C(benzene) group. ...[more]

PMID: 21582838

Similar Datasets

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

(E)-5-Bromo-3-(2,6-dichloro-benzyl-idene)indolin-2-one.

Project description:The title compound, C(15)H(8)BrCl(2)NO, crystallizes with two independent mol-ecules in the asymmetric unit. The dihedral angles between the two aromatic rings are 62.74?(9) and 63.50?(6)° in the two independent molecules. In the crystal, the mol-ecules are connected by N-H?O hydrogen bonds, forming two centrosymmetric dimers.

| S-EPMC2970143 | biostudies-literature

Tris(3-hy-droxy-imino-1-methyl-indolin-2-one) monohydrate.

Project description:There are three independent 3-hy-droxy-imino-1-methyl-indolin-2-one mol-ecules and a water mol-ecule in the asymmetric unit of the title compound, 3C(9)H(8)N(2)O(2)·H(2)O. The crystal packing is stablized by O-H?O and O-H?Nhydrogen bonds between 3-hy-droxy-imino-1-methyl-indolin-2-one mol-ecules and the water mol-ecule and weak ?-? stacking inter-actions [centroid-centroid distances in the range 3.446?(2)-3.983?(2)?Å], forming a two-dimensional network.

| S-EPMC3120467 | biostudies-literature

1-Benzyl-3-[(4-methyl-phen-yl)imino]-indolin-2-one.

Project description:In the title compound, C(22)H(18)N(2)O, the phenyl and tolyl rings make dihedral angles of 84.71 (7) and 65.11 (6)°, respectively, with the isatin group. The aromatic rings make a dihedral angle of 60.90 (8)°. The imino C=N double bond, exists in an E conformation. In the crystal, mol-ecules are linked by weak π-π stacking inter-actions [centroid-centroid distance = 3.6598 (13) Å].

| S-EPMC3393911 | biostudies-literature

(E)-3-(2-Hy-droxy-5-methyl-phenyl-imino)-indolin-2-one.

Project description:In the title compound, C(15)H(12)N(2)O(2), the dihedral angle between the two benzene rings is 83.55?(11)° In the crystal, the molecules are linked by O-H?O and N-H?O hydrogen bonds.

| S-EPMC3200761 | biostudies-literature

3-Hydr-oxy-3-nitro-methyl-indolin-2-one.

Project description:In the title compound, C(9)H(8)N(2)O(4), the indolin-2-one ring system is substanti-ally planar [maximum deviation = 0.0353?(15)?Å]. In the crystal structure, inter-molecular N-H?O and O-H?O hydrogen bonds are responsible for the formation of a three-dimensional network.

| S-EPMC2971264 | biostudies-other

2-(4-Bromo-phen-yl)-6-methyl-4H-1-benzopyran-4-one (4'-bromo-6-methyl-flavone).

Project description:Planar (r.m.s. deviation from the plane through all non-H atoms = 0.036?Å) mol-ecules of the title compound, C(16)H(11)BrO(2), form a layered structure stabilized by C-H?O hydrogen bonds and ?-? stacking inter-actions.

| S-EPMC2984026 | biostudies-literature

2-Hy-droxy-2-methyl-1-phenyl-indolin-3-one.

Project description:In the title compound, C(15)H(13)NO(2), the indole and benzene rings make a dihedral angle of 60.61?(4)°. In the crystal, dimeric pairs (twofold symmetry) are formed via O-H?O hydrogen bonds.

| S-EPMC3238890 | biostudies-other

1,3,3-Tribenzyl-indolin-2-one.

Project description:In the title compound, C(29)H(25)NO, the dihedral angles between the indolin-2-one ring system and the three benzene rings are 62.78?(9), 31.69?(9) and 80.94?(9)°.

| S-EPMC3247398 | biostudies-literature

4-Bromo-3-hy-droxy-3-(4-hy-droxy-2-oxo-2H-chromen-3-yl)indolin-2-one.

Project description:In the mol-ecule of the title compound, C(17)H(10)BrNO(5), the indoline system and the attached coumarin ring are each essentially planar with maximum deviations of 0.074?(2) and 0.062 (2)?Å, respectively. The dihedral angle between them is 85.09?(3)°. In the crystal, all heteroatoms (except for the coumarin oxo O atoms) are involved in intra- and inter-molecular hydrogen bonds. An intra-molecular O-H?O hydrogen bond occurs. In the crystal, mol-ecules are linked through O-H?O, N-H?O and C-H?O contacts, forming a complex three-dimensional structure.

| S-EPMC3051509 | 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