Browse
Submit Data
Databases
API
Help

Dataset Information

23 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1',1''-Dimethyl-4'-(4-methyl-phen-yl)di-spiro-[11H-indeno-[1,2-b]quinoxaline-11,2'-pyrrolidine-3',3''-piperidin]-4''-one.

ABSTRACT: In the title compound, C31H30N4O, the central pyrrolidine ring adopts an envelope conformation with the methyl-ene C atom being the flap. The quinoxaline and indane rings are each planar, having r.m.s. deviations of 0.030 and 0.050?Å, respectively. The pyrrolidine ring mean plane forms dihedral angles of 88.25?(1) and 83.76?(1)° with the quinoxaline and indane rings, respectively. Intra-molecular C-H?O and C-H?N inter-actions are observed. In the crystal, C-H?? inter-actions lead to helical supra-molecular chains along the b-axis direction.

SUBMITTER: Nagalakshmi RA

PROVIDER: S-EPMC3884467 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1',1''-Dimethyl-4'-(4-methyl-phen-yl)di-spiro-[11H-indeno-[1,2-b]quinoxaline-11,2'-pyrrolidine-3',3''-piperidin]-4''-one.

Nagalakshmi R A RA Suresh J J Malathi K K Kumar R Ranjith RR Lakshman P L N PL

Acta crystallographica. Section E, Structure reports online 20130823 Pt 9

In the title compound, C31H30N4O, the central pyrrolidine ring adopts an envelope conformation with the methyl-ene C atom being the flap. The quinoxaline and indane rings are each planar, having r.m.s. deviations of 0.030 and 0.050 Å, respectively. The pyrrolidine ring mean plane forms dihedral angles of 88.25 (1) and 83.76 (1)° with the quinoxaline and indane rings, respectively. Intra-molecular C-H⋯O and C-H⋯N inter-actions are observed. In the crystal, C-H⋯π inter-actions lead to helical supr ...[more]

PMID: 24427088

Similar Datasets

Crystal structure of 1',1''-dimethyl-4'-(4-cholorophen-yl)di-spiro-[11H-indeno[1,2-b]quinoxaline-11,2'-pyrrolidine-3',3''-piperidin]-4''-one.

Project description:In the title compound, C30H27ClN4O, the central pyrrolidine ring adopts an envelope conformation with the methyl-ene C atom being the flap. The quinoxaline and indane rings are each essentially planar, with r.m.s. deviations of 0.027?(1) and 0.0417?(1)?Å, respectively. The pyrrolidine ring forms dihedral angles of 88.25?(1) and 83.76?(1)° with the quinoxaline and indane rings, respectively. A weak intra-molecular C-H?N inter-action is observed. In the crystal, C-H?? inter-actions lead to supra-molecular chains along [101] that assemble in the ac plane. Connections along the b axis are of the type Cl?Cl [3.6538?(16)?Å].

| S-EPMC4384562 | biostudies-literature

1',1''-Dimethyl-4'-phenyl-dispiro-[11H-indeno-[1,2-b]quinoxaline-11,2'-pyrrolidine-3',3''-piperidin]-4''-one.

Project description:In the title compound, C30H28N4O, the central pyrrolidine ring adopts an envelope conformation with the CH2 C atom as the flap. The quinoxaline and indene ring systems are planar, with r.m.s. deviations of 0.0165 and 0.0181?Å, respectively. The pyrrolidine ring mean plane forms dihedral angles of 88.84?(1) and 86.14?(1)° with the quinoxaline and indene ring systems, respectively. A weak intra-molecular C-H?N inter-action is observed. In the crystal, C-H?O inter-actions lead to helical supra-molecular chains along the b axis having a C(9) motif.

| S-EPMC3884453 | biostudies-other

2-(4-Bromo-benzo-yl)-1-ferrocenyl-spiro-[11H-pyrrolidizine-3,11'-indeno-[1,2-b]quinoxaline].

Project description:In the title compound, [Fe(C5H5)(C33H25BrN3O)], the fused four-ring system, 11H-indeno-[1,2-b]quinoxaline is essentially planar, with a maximum deviation of 0.087?(3)?Å from the least-squares plane of the attached benzene ring. The pyrrolidine rings adopt envelope conformation and make a dihedral angle of 51.76?(19)° with each other. The cyclopentadiene rings of the ferrocenyl moiety have an eclipsed conformation. The Br atom deviates by 0.0190?(9)?Å from the attached benzene ring. The mol-ecular structure features an intra-molecular C-H?N inter-action, which generates an S(8) ring motif. The crystal packing features C-H?O inter-actions, which generate R 2 (2)(18) centrosymmetric dimers, as well as C-H?? inter-actions.

| S-EPMC3884418 | biostudies-literature

4-Ferrocenyl-1-methyl-3-benzoyl-spiro-[pyrrolidine-2,11'-indeno-[1,2-b]quinoxaline].

Project description:In the title compound, [Fe(C5H5)(C31H24N3O)], the pyrrolidine ring adopts a twist conformation. The pyrrolidine ring is almost perpendicular to the indeno-quinoxaline ring system, making a dihedral angle of 84.44?(5)°. The cyclo-penta-dienyl rings of the ferrocene moiety adopt an eclipsed conformation. The crystal packing features weak C-H?N and C-H?? inter-actions.

| S-EPMC3588807 | biostudies-other

3-(Ferrocen-1-ylcarbon-yl)-1-methyl-4-(4-methyl-phen-yl)spiro-[pyrrolidine-2,11'-indeno-[1,2-b]quinoxaline].

Project description:In the title compound, [Fe(C(5)H(5))(C(32)H(26)N(3)O)], the pyrrolidine ring adopts a twist conformation. The indeno-quinoxaline ring system [86.44?(5)°], the methyl-phenyl ring [86.06?(7)°] and the ferrocene rings [82.00?(7) and 83.95?(9)°] are almost perpendicular to the pyrrolidine ring. The two cyclopentadienyl rings adopt an eclipsed conformation. The crystal structure features C-H?N inter-actions.

| S-EPMC3470153 | biostudies-other

6'-Amino-3'-methyl-11H,2'H-spiro-[indeno-[1,2-b]quinoxaline-11,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile ethanol monosolvate.

Project description:In the title spiro-indeno-quinoxaline compound, C(22)H(14)N(6)O·C(2)H(6)O, the five-membered ring of the indene unit and the pyran ring are perpendicular [89.11 (3)°]. In the crystal, N-H⋯N hydrogen bonds connect the spiro-indeno-quinoxaline mol-ecules, and the ethanol solvent mol-ecules complete the hydrogen-bond network via O-H⋯N and N-H⋯O inter-actions.

| S-EPMC3393959 | biostudies-literature

Crystal structure of 1-ferrocenyl-2-(4-methyl-benzo-yl)spiro-[11H-pyrrolidizine-3,11'-indeno[1,2-b]quinoxaline].

Project description:In the title compound, [Fe(C5H5)(C34H28N3O)], the four-fused-rings system of the 11H-indeno-[1,2-b]quinoxaline unit is approximately planar [maximum deviation = 0.167?(4)?Å] and forms a dihedral angle of 37.25?(6)° with the plane of the benzene ring of the methyl-benzoyl group. Both pyrrolidine rings adopt a twist conformation. An intra-molecular C-H?O hydrogen bond is observed. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds and weak C-H?? inter-actions, forming double chains extending parallel to the c axis.

| S-EPMC4186081 | biostudies-other

Ethyl 1''-benzyl-1'-methyl-2''-oxodi-spiro-[indeno-[1,2-b]quinoxaline-11,3'-pyrrolidine-2',3''-indoline]-4'-carboxyl-ate.

Project description:In the title compound, C36H30N4O3, the quinoxaline-indene system is roughly planar, with a maximum deviation from the mean plane of 0.218 Å for the C atom shared with the central pyrrolidine ring. This latter ring forms dihedral angles of 84.54 (7) and 83.91 (8)° with the quinoxaline-indene system and the indole ring, respectively. The central pyrrolidine ring has an envelope conformation with the N atom as the flap, while the pyrrolidine and five-membered rings of the indole group adopt twisted conformation and envelope (with the C atom bearing the quinoxaline-indene system as the flap) conformations, respectively. In the crystal, mol-ecules are linked via weak C-H⋯N hydrogen bonds, forming a chain running along [100].

| S-EPMC3684912 | biostudies-literature

6-Ferrocenoyl-7-(4-fluoro-phen-yl)spiro-[hexa-hydro-pyrrolo-[1,2-c][1,3]thia-zole-5,11'-indeno-[1,2-b]quinoxaline].

Project description:In the title compound, [Fe(C5H5)(C32H23FN3OS)], both the thia-zolidine ring and the pyrrolidine ring adopt a twist conformation on the N-C(H) bridging bond. Their mean planes are inclined to one another by 10.05?(10)°, and they make dihedral angles of 82.09?(10) and 89.67?(11)°, respectively, with the cyclo-pentane ring. The F atom deviates by -0.0238?(2)?Å from the benzene ring to which it is attached. In the crystal, mol-ecules are linked by a pair of C-H?O hydrogen bonds, forming inversion dimers.

| S-EPMC3884446 | biostudies-literature

Crystal structure of ethyl (2S,2'R)-1'-benzyl-3-oxo-3H-di-spiro-[1-benzo-thio-phene-2,3'-pyrrolidine-2',11''-indeno[1,2-b]quinoxaline]-4'-carboxyl-ate.

Project description:In the title compound, C35H27N3O3S, the spiro-linked five-membered rings both adopt twisted conformations. The pyrrolidine ring makes dihedral angles of 80.5 (1) and 77.4 (9)° with the benzo-thio-phene ring system and the quinoxaline ring system, respectively. The S atom and C=O unit of the benzo-thio-phene ring system are disordered over two opposite orientations in a 0.768 (4):0.232 (4) ratio. The atoms of the ethyl side chain are disordered over two sets of sites in a 0.680 (16):0.320 (16) ratio. In the crystal, mol-ecules are linked by C-H⋯O, C-H⋯N and π-π inter-actions [shortest centroid-centroid distance = 3.4145 (19) Å], resulting in a three-dimensional network.

| S-EPMC4350717 | 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