Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Methyl 4'-(4-fluoro-phen-yl)-1'-methyl-3'-nitro-methyl-2-oxospiro-[indoline-3,2'-pyrrolidine]-3'-carboxyl-ate.

ABSTRACT: In the title compound, C(21)H(20)FN(3)O(5), the the pyrrolidine ring makes dihedral angles of 84.91?(6) and 62.38?(7)° with the oxindole unit and the fluoro-phenyl ring, respectively. The pyrrolidine ring assumes an envelope conformation with the spiro C atom as the flap. The crystal packing features weak N-H?N and C-H?O hydrogen bonds.

SUBMITTER: Revathi BK

PROVIDER: S-EPMC3569805 | biostudies-other | 2013 Feb

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Methyl 4'-(4-fluoro-phen-yl)-1'-methyl-3'-nitro-methyl-2-oxospiro-[indoline-3,2'-pyrrolidine]-3'-carboxyl-ate.

Revathi B K BK Sathya S S Usha G G Murugan G G Bakthadoss M M

Acta crystallographica. Section E, Structure reports online 20130123 Pt 2

In the title compound, C(21)H(20)FN(3)O(5), the the pyrrolidine ring makes dihedral angles of 84.91 (6) and 62.38 (7)° with the oxindole unit and the fluoro-phenyl ring, respectively. The pyrrolidine ring assumes an envelope conformation with the spiro C atom as the flap. The crystal packing features weak N-H⋯N and C-H⋯O hydrogen bonds. ...[more]

PMID: 23424551

Similar Datasets

Methyl 3'-benzyl-4'-(2-chloro-phen-yl)-1'-methyl-2-oxo-spiro-[indoline-3,2'-pyrrolidine]-3'-carboxyl-ate.

Project description:In the title compound, C27H25ClN2O3, the methyl-pyrrolidine ring adopts an envelope conformation with the N atom at the flap. The mean plane of the pyrrolidine ring makes dihedral angles of 82.1?(1), 84.4?(1) and 79.8?(1)°, respectively, with the adjacent benzene ring, the mean plane of the indoline ring system and the phenyl ring. The mol-ecular structure is stabilized by intra-molecular C-H?O hydrogen bonds. In the crystal, mol-ecules are linked into chains along [101] by N-H?O hydrogen bonds. C-H?? inter-actions are observed between the chains.

| S-EPMC3793722 | biostudies-literature

Methyl 3'-benzyl-4'-(2,4-di-chloro-phen-yl)-1'-methyl-2-oxo-spiro-[indoline-3,2'-pyrrolidine]-3'-carboxyl-ate.

Project description:In the title compound, C27H24Cl2N2O3, the indole ring system is essentially planar, with a maximum deviation of 0.082 (2) Å for the carbonyl C atom. It makes a dihedral angle of 88.53 (6)° with the mean plane of the 4-methyl-pyrrolidine ring, which adopts an envelope conformation with the N atom at the flap position. The mol-ecular structure is stabilized by intra-molecular C-H⋯O hydrogen bonds, which generate S(6) and S(7) ring motifs, and an intra-molecular π-π inter-action involving the benzyl and di-chloro-substituted benzene rings [centroid-centroid distance = 3.6291 (11) Å]. In the crystal, mol-ecules are linked via N-H⋯O hydrogen bonds, forming C(7) chains running parallel to [10-1].

| S-EPMC3998484 | biostudies-literature

Methyl 5''-chloro-1',1''-dimethyl-2,2''-dioxodi-spiro-[indoline-3,2'-pyrrolidine-3',3''-indoline]-4'-carboxyl-ate.

Project description:In the title compound, C22H20ClN3O4, the central pyrrolidine ring adopts an envelope conformation on the N atom. The indolinone systems are individually roughly planar, with maximum deviations from their mean planes of 0.130 Å for the spiro C atom of the indolinone unit and 0.172 Å for the carbonyl C atom of the 5-chloro-1-methyl-indolinone unit. They make dihedral angles of 77.7 (8) and 86.1 (8)° with the mean plane through the central pyrrolidine ring. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds supported by C-H⋯O contacts into chains along the ab diagonal. The structure also features C-H⋯O hydrogen bonds, forming R 2 (2)(8) and R 2 (2)(16) rings and generating a three-dimensional array.

| S-EPMC3684914 | biostudies-literature

Methyl 3'-(2,5-di-methyl-benz-yl)-1'-methyl-2-oxo-4'-phenyl-spiro-[indoline-3,2'-pyrrolidine]-3'-carboxyl-ate chloro-form monosolvate.

Project description:In the title solvate, C29H30N2O3·CHCl3, the dihedral angle between the indole ring system (r.m.s. deviation = 0.050 Å) and the 4-methyl-pyrrolidine ring is 88.88 (8)°. The latter ring adopts an envelope conformation with the N atom as the flap. Its mean plane makes dihedral angles of 86.94 (11) and 42.08 (9)° with the phenyl and di-methyl-benzene rings, respectively. The mol-ecular conformation is stabilized by intra-molecular C-H⋯O hydrogen bonds, which generate S(6) and S(9) ring motifs. The chloro-form solvent mol-ecule is linked to the organic mol-ecule by a C-H⋯O hydrogen bond involving the carbonyl O atom of the carboxyl-ate group. In the crystal, mol-ecules are linked via bifurcated N-H⋯(N,O) and C-H⋯O hydrogen bonds, forming chains propagating along [001].

| S-EPMC3998463 | biostudies-literature

Methyl 4'-(3-bromo-phen-yl)-3'-(2,5-di-methyl-benz-yl)-1'-methyl-2-oxo-spiro-[indo-line-3,2'-pyrrolidine]-3'-carboxyl-ate.

Project description:In the title compound, C29H29BrN2O3, the indole ring system is essentially planar (r.m.s. deviation = 0.079 Å) and makes a dihedral angle of 85.23 (10)° with the mean plane of the 4-methyl-pyrrolidine ring. This ring adopts an envelope conformation with the N atom at the flap. The pyrrolidine ring of the indole ring system adopts a twisted conformation on the C-C(=O) bond. The mol-ecular structure is stabilized by an intra-molecular C-H⋯O hydrogen bond, which generates an S(6) ring motif. In the crystal, mol-ecules are linked via pairs of C-H⋯O hydrogen bonds, forming inversion dimers with an R 2 (2)(14) ring motif. These dimers are further linked by N-H⋯O and C-H⋯O hydrogen bonds, forming two-dimensional networks lying parallel to (10-1).

| S-EPMC3998460 | biostudies-literature

Methyl 3-[ferrocen-yl(hydr-oxy)meth-yl]-1-methyl-2'-oxospiro-[pyrrolidine-2,3'-indoline]-3-carboxyl-ate.

Project description:In the title compound, [Fe(C(5)H(5))(C(20)H(21)N(2)O(4))], the pyrrolidine ring exhibits an envelope conformation with the spiro-C atom deviating from the plane of the remaining four atoms. The pyrrolidine ring is almost perpendicular to the indolinone ring [dihedral angle = 87.52?(7)°]. The structure is stabilized by an intra-molecular O-H?N hydrogen bond and by inter-molecular C-H?O and N-H?O inter-actions.

| S-EPMC2977586 | biostudies-literature

Methyl 3'-benzyl-4'-(2,4-di-chloro-phen-yl)-1'-methyl-2-oxo-1-propyl-spiro-[indoline-3,2'-pyrrolidine]-3'-carboxy-l-ate.

Project description:In the title compound, C30H30Cl2N2O3, the indole ring system is roughly planar, with a maximum deviation of 0.1039 (18) Å for the carbonyl C atom, and makes a dihedral angle of 86.61 (9)° with the mean plane of the pyrrolidine ring. This spiro pyrrolidine ring adopts an envelope conformation with the N atom at the flap position. The pyrrole ring of the indole ring system adopts a twisted conformation on the C-C(=O) bond. The mol-ecular structure is stabilized by an intra-molecular C-H⋯O hydrogen bond, which generates an S(6) ring motif, and a π-π inter-action [centroid-centroid distance = 3.6577 (12) Å] involving the 2,4-di-chloro-phenyl ring and the benzyl ring. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds, forming C(9) chains running parallel to [10-1].

| S-EPMC3998486 | biostudies-literature

A triclinic polymorph of methyl (3R,3'S)-1',1''-dimethyl-2,2''-dioxodispiro-[indoline-3,2'-pyrrolidine-3',3''-indoline]-4'-carboxyl-ate.

Project description:In the title compound, C22H21N3O4, the central pyrrolidine ring adopts a C-envelope conformation with a C atom 0.6593?(13)?Å displaced from the mean plane formed by the remaining ring atoms. The indoline ring systems (r.m.s. devisations of 0.0356 and 0.0547?Å) are almost perpendicular to the mean plane of the pyrrolidine ring, making dihedral angles of 89.7?(6) and 82.5?(6)°. The acetate group attached to the pyrrolidine ring assumes an extended conformation. In the crystal,N-H?O and C-H?O hydrogen bonds connect adjacent molecules, forming an infinite tape extending along [1-1-1]. The crystal packing is further consolidated by strong ?-? inter-actions with a centroid-centroid distance of 3.2585?(8)?Å. The title compound is a polymorph of previously reported monoclinic structure [Ganesh et al. (2012 ?). Acta Cryst. E68, o2902-o2903].

| S-EPMC3589042 | biostudies-literature

Methyl (3R*,3'S*)-1',1''-dimethyl-2,2''-dioxodispiro-[indoline-3,2'-pyrrolidine-3',3''-indoline]-4'-carboxyl-ate.

Project description:In the title compound, C(22)H(21)N(3)O(4), the central pyrrolidine ring adopts an envelope conformation with the N atom in the flap position. The indoline ring systems are almost perpendic-ular to the mean plane of the pyrrolidine ring, making dihedral angles of 86.4?(8) and 83.1?(8)°. The acetate group attached to the pyrrolidine ring assumes an extended conformation. In thecrystal, N-H?O hydrogen bonds result in the formation of a C(7) chain running along [100]. The crystal packing also features ?-? inter-actions [centroid-centroid distance = 3.2032?(11)?Å].

| S-EPMC3470252 | biostudies-other

Diethyl 1-acetyl-4'-(4-chloro-phen-yl)-5'-(4-nitro-phen-yl)-2-oxospiro-[indoline-3,3'-pyrrolidine]-2',2'-dicarboxyl-ate.

Project description:In the title compound, C(31)H(28)ClN(3)O(8), the pyrrolidine ring exhibits an envelope conformation, with the spiro C atom located at the flap position. A spiro junction links the oxindole ring system and the pyrrolidine ring. The planar oxindole ring system is twisted with respect to the nitro-benzene and chloro-benzene rings, with dihedral angles of 62.34?(11) and 75.93?(9)°, respectively. In the crystal, a weak C-H?O interaction links the molecules into chains and two intramolecular C-H?O close contacts are seen.

| S-EPMC2970347 | 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