Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(5''E)-1''-Benzyl-1'-methyl-5''-[4-(methyl-sulfan-yl)benzyl-idene]-4'-[4-(methyl-sulfan-yl)phen-yl]dispiro-[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione dichloro-methane solvate.

ABSTRACT: In the title compound, C(38)H(36)N(3)O(2)S(2)·CH(2)Cl(2), the 2-oxindole ring is almost planar (r.m.s. deviation = 0.032?Å), the pyrrolidine ring adopts a twist conformation and the piperidone ring exists as a chair. Three short C-H?O intra-molecular contacts occur. In the crystal, mol-ecules are linked by C-H?O and C-H?N inter-actions. The dichloro-methane solvent mol-ecule is disordered over two orientations in a 0.765?(11):0.235?(11) ratio.

SUBMITTER: Hou Y

PROVIDER: S-EPMC2980017 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(5''E)-1''-Benzyl-1'-methyl-5''-[4-(methyl-sulfan-yl)benzyl-idene]-4'-[4-(methyl-sulfan-yl)phen-yl]dispiro-[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione dichloro-methane solvate.

Hou Yongjiang Y

Acta crystallographica. Section E, Structure reports online 20091224 Pt 1

In the title compound, C(38)H(36)N(3)O(2)S(2)·CH(2)Cl(2), the 2-oxindole ring is almost planar (r.m.s. deviation = 0.032 Å), the pyrrolidine ring adopts a twist conformation and the piperidone ring exists as a chair. Three short C-H⋯O intra-molecular contacts occur. In the crystal, mol-ecules are linked by C-H⋯O and C-H⋯N inter-actions. The dichloro-methane solvent mol-ecule is disordered over two orientations in a 0.765 (11):0.235 (11) ratio. ...[more]

PMID: 21580125

Similar Datasets

5-Chloro-5''-(4-chloro-benzyl-idene)-4'-(4-chloro-phen-yl)-1''-ethyl-1'-methyl-dispiro-[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione.

Project description:Two spiro links are found in the title compound, C31H28Cl3N3O2, one connecting the piperidine and pyrrolidine rings, and the other connecting the pyrrolidine ring and indole residue. The piperidine ring adopts a half-chair conformation, in which the C atom connected to the spiro-C atom lies 0.741 (3) Å out of the plane of the remaining five atoms (r.m.s. deviation = 0.053 Å). The pyrrolidine ring has an envelope conformation with the flap atom being the methyl-ene C atom. Centrosymmetric eight-membered {⋯HNCO}2 amide dimers are the most significant feature of the crystal packing. These are connected into layers parallel to (-120) by C-H⋯O and π-π inter-actions between pyrrolidine-bound benzene rings [inter-centroid distance = 3.8348 (15) Å]. Slipped face-to-face inter-actions between the edges of pyrrolidine-bound benzene [shortest C⋯C separation = 3.484 (4) Å] connect the layers into a three-dimensional architecture.

| S-EPMC4029214 | biostudies-literature

5-Chloro-5''-[4-(di-methyl-amino)-benzyl-idene]-4'-[4-(di-methyl-amino)-phen-yl]-1',1''-di-methyl-dispiro-[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione.

Project description:The title compound, C34H38ClN5O2, has spiro links connecting the pyrrolidine ring and indole residue, as well as the piperidine and pyrrolidine rings. A half-chair conformation is found for the piperidine ring with the C atom connected to the spiro-C atom lying 0.738 (4) Å out of the plane of the remaining five atoms (r.m.s. deviation = 0.0407 Å). The methyl-ene C atom is the flap in the envelope conformation for the pyrrolidine ring. In the crystal, supra-molecular chains are sustained by alternating eight-membered {⋯HNCO}2 and 14-membered {⋯HC5O}2 synthons. Chains are connected into a three-dimensional network by (pyrrolidine-bound phenyl-meth-yl)C-H⋯π(pyrrolidine-bound phen-yl) edge-to-face inter-actions.

| S-EPMC4029217 | biostudies-literature

5''-Benzyl-idene-5-chloro-1',1''-dimethyl-4'-phenyl-dispiro-[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione.

Project description:The title compound, C30H28ClN3O2, features two spiro links, one connecting the piperidine and pyrrolidine rings, and the other connecting the pyrrolidine ring and indole residue. The configuration about the ethene bond is E. The piperidine ring adopts a half-chair conformation where the C atom connected to the spiro-C atom lies 0.713 (3) Å out of the plane of the remaining five atoms (r.m.s. deviation = 0.086 Å). The pyrrolidine ring has an envelope conformation with the flap atom being the methyl-ene C atom. Centrosymmetric eight-membered {⋯HNCO}2 amide synthons feature in the crystal packing. These are consolidated into a three-dimensional architecture by phen-yl-pyrrolidine C-H⋯N and chloro-benzene-pyrrolidine-bound phenyl C-H⋯π inter-actions.

| S-EPMC4029213 | biostudies-literature

5-(4-Fluoro-benzyl-idene)-4'-(4-fluoro-phen-yl)-1,1'-dimethyl-dispiro-[piperidine-3,3'-pyrrolidine-2',3''-indoline]-4,2''-dione.

Project description:The asymmetric unit of the title compound, C(30)H(27)F(2)N(3)O(2), contains two independent mol-ecules. The pyrrolidine five-membered ring assumes an envelope conformation (with the CH(2) atom at the flap) in one mol-ecule and a twisted conformation in the other one. In both independent mol-ecules, the 4-piperidinone rings adopt a similar twisted chair conformation. In the crystal, the two independent mol-ecules form an R(2) (2)(8) dimer through a pair of N-H⋯O hydrogen bonds; the R(2) (2)(8) dimers are connected via weak C-H⋯O hydrogen bonds, leading to a chain extending along the c axis.

| S-EPMC3470200 | biostudies-literature

4'-(4-Methoxy-phen-yl)-1,1',1''-trimethyl-dispiro-[indoline-3,2'-pyrrolidine-3',3''-pyrrolidine]-2,2'',5''-trione.

Project description:In the title compound, C(24)H(25)N(3)O(4), the pyrrolidine ring adopts an envelope conformation while the pyrrolidine-2'',5''-dione ring adopts a twist conformation. The indoline unit is planar [maximum deviation of -0.050?(9)?Å] and forms a dihedral angle of 40.36?(4)° with the methoxy-phenyl ring. Intra-molecular C-H?O hydrogen bonds are observed. In the crystal, mol-ecules are linked into a two-dimensional network parallel to the ab plane by inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions.

| S-EPMC2969413 | biostudies-literature

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

1'-Methyl-4'-phenyl-2''-sulfanylidene-dispiro-[indoline-3,2'-pyrrolidine-3',5''-1,3-thia-zolidine]-2,4''-dione.

Project description:The title compound, C(20)H(17)N(3)O(2)S(2), crystallizes with two mol-ecules in the asymmetric unit. The pyrrolo-dine rings have envelope conformations in both mol-ecules, the N atoms deviating by 0.574?(3) and 0.612?(2)?Å from the mean planes through the other ring atoms. The 1'-methyl and 4'-phenyl groups on the pyrrolidine rings are substituted in equatorial positions. In the crystal, mol-ecules are linked into a three-dimensional network by N-H?O, N-H?N and C-H?O and N-H?? hydrogen bonds.

| S-EPMC3275027 | biostudies-literature

1'-Methyl-4'-(4-methyl-phen-yl)dispiro-[indane-2,3'-pyrrolidine-2',3''-indoline]-1,2''-dione.

Project description:In the title mol-ecule, C(27)H(24)N(2)O(2), the pyrrolidin-2-one ring is almost planar (r.m.s. deviation = 0.003 Å), the pyrrolidine ring has an envelope conformation (the N atom is the flap atom) and the cyclo-penta-none ring is twisted about the C(q)-C(m) bond (q = quaternary and m = methylene). The ketone O atoms are directed to opposite sides of the mol-ecule. Supra-molecular chains along the a axis are formed in the crystal packing mediated by N-H⋯N and C-H⋯O inter-actions. These are connected into layers in the ab plane via C-H⋯π inter-actions.

| S-EPMC3393996 | biostudies-literature

1-Methyl-1'-(4-methyl-phen-yl)-2',3',5',6',7',7a'-hexa-hydro-1'H-dispiro-[piperidine-3,2'-pyrrolizine-3',3''-indoline]-4,2''-dione.

Project description:The title compound, C(26)H(29)N(3)O(2), crystallizes with two mol-ecules in the asymmetric unit, having C-H⋯O inter-actions between them and resulting in a dimer characterized by an R(2) (2)(11) motif. These dimers are linked into an ABABAB chain via N-H⋯O, N-H⋯N and C-H⋯O built edge-fused R(1) (2)(5) and R(2) (2)(7) motifs. This chain is linked to its inversion-related partner via N-H⋯O bonds with an R(2) (2)(8) motif and leads to a double chain extending along the b axis characterized by an R(6) (6)(36) motif across the inversion centres. The methyl group of the phenyl ring and the oxindole of mol-ecule A and B are involved in C-H⋯π inter-actions. One C atom of the pyrrolizine ring of mol-ecule A and its attached H atoms show positional disorder, the major and minor components being in the ratio 0.706 (7):0.294 (7).

| S-EPMC3435806 | 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