Browse
Submit Data
Databases
API
Help

Dataset Information

10 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,2-Diethyl 4-methyl 5-(4-nitro-phen-yl)-4-phenyl-pyrrolidine-2,2,4-tricarboxyl-ate.

ABSTRACT: The title compound, C(24)H(26)N(2)O(8), was synthesized by the cyclo-addition reaction of methyl 2-phenyl-acrylate, diethyl 2-amino-malonate and 4-nitro-benzaldehyde. The pyrrolidine ring exhibits an envelope conformation. The two benzene rings are located on opposite sides of the pyrrolidine ring and subtend a dihedral angle of 59.16?(14)°. The crystal packing is stabilized by N-H?O and weak C-H?O hydrogen bonding.

SUBMITTER: He L

PROVIDER: S-EPMC3201539 | biostudies-other | 2011 Oct

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

2,2-Diethyl 4-methyl 5-(4-nitro-phen-yl)-4-phenyl-pyrrolidine-2,2,4-tricarboxyl-ate.

He Long L

Acta crystallographica. Section E, Structure reports online 20110914 Pt 10

The title compound, C(24)H(26)N(2)O(8), was synthesized by the cyclo-addition reaction of methyl 2-phenyl-acrylate, diethyl 2-amino-malonate and 4-nitro-benzaldehyde. The pyrrolidine ring exhibits an envelope conformation. The two benzene rings are located on opposite sides of the pyrrolidine ring and subtend a dihedral angle of 59.16 (14)°. The crystal packing is stabilized by N-H⋯O and weak C-H⋯O hydrogen bonding. ...[more]

PMID: 22065547

Similar Datasets

Diethyl 4-acetyl-5-(2-nitro-phen-yl)pyrrolidine-2,2-dicarboxyl-ate.

Project description:The title compound, C(18)H(22)N(2)O(7), was synthesized by the 1,3-dipolar cyclo-addition reaction of but-3-en-2-one, diethyl 2-amino-malonate and 2-nitro-benzaldehyde. In the mol-ecule, the pyrrolidine ring possesses an envelope conformation. Inter-molecular N-H?O and C-H?O hydrogen bonds are present in the crystal structure.

| S-EPMC3011499 | biostudies-literature

Diethyl 1-(4-methyl-phen-yl)-3-phenyl-5-oxopyrrolidine-2,2-dicarboxyl-ate.

Project description:In the title compound, C(23)H(25)NO(5), the lactam ring adopts an envelope conformation and both eth-oxy-carbonyl side chains show an s-cis conformation: one is nearly planar, the dihedral angle between CO(2) and OCH(2)CH(3) groups being 7.95?(14)° and the other is almost orthogonal, the C-O-C-C torsion angle being 85.33?(9)°. Dimers related by inversion symmetry are stabilized by C-H?O hydrogen bonds. The crystal structure is consolidated by weak intermolecular C-H?O inter-actions. Weak intra-molecular inter-actions of the same kind also occur.

| S-EPMC3007313 | biostudies-literature

Trimethyl 5-(2-chloro-4-fluoro-phen-yl)-2-phenyl-pyrrolidine-2,3,4-tricarboxyl-ate.

Project description:The title compound, C(22)H(21)ClFNO(6), was synthesized by the 1,3-dipolar cyclo-addition reaction of dimethyl maleate, methyl 2-amino-2-phenyl-acetate and 2-chloro-4-fluoro-benzaldehyde. The pyrrolidine ring possesses an envelope conformation and the two benzene rings are oriented at a dihedral angle of 68.28?(7)°. Weak inter-molecular C-H?O hydrogen bonding is present in the crystal structure. One methyl group is disordered over two positions with a site-occupancy ratio of 0.651?(12):0.349?(12).

| S-EPMC2971169 | biostudies-literature

2,2-Diethyl 3,4-dimethyl 5-(4-cyano-phen-yl)pyrrolidine-2,2,3,4-tetra-carboxyl-ate.

Project description:The title compound, C(21)H(24)N(2)O(8), was synthesized by a 1,3-dipolar cyclo-addition reaction of dimethyl fumarate, diethyl 2-amino-malonate and 4-cyano-benzaldehyde. Both methyl ester groups display a trans configuration and the pyrrolidine ring possesses an envelope conformation, with the C atom in the 3-position as the flap. In the crystal, N-H?N hydrogen bonds and weak C-H?O inter-actions occur.

| S-EPMC3414296 | biostudies-literature

Methyl 2-benzyl-5-[1-(4-methoxy-phen-yl)-4-oxo-3-phenyl-azetidin-2-yl]-4-nitro-3-phenyl-pyrrolidine-2-carboxyl-ate.

Project description:In the title mol-ecule, C(35)H(33)N(3)O(6), the pyrrolidine ring adopts a twist conformation. The mol-ecules are paired into centrosymmetric dimers by weak inter-molecular C-H?O hydrogen bonds. The dimers inter-act further again via C-H?O hydrogen bonds and N-H?O intramolecular interaction also stabilize the crystal packing.

| S-EPMC2959360 | biostudies-literature

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

Methyl 3-(4-bromo-phen-yl)-2-(1H-indol-3-ylmeth-yl)-5-[1-(4-methoxy-phen-yl)-4-oxo-2-phenyl-azetidin-2-yl]-4-nitro-pyrrolidine-2-carboxyl-ate.

Project description:In the title compound, C(37)H(33)BrN(4)O(6), the pyrrolidine ring adopts an envelope conformation. The ?-lactam ring is planar and makes dihedral angles of 70.16?(13) and 28.32?(13)° with the phenyl and 4-methoxy-phenyl rings, respectively. The mol-ecular packing is stabilized by intra-molecular C-H?O inter-actions and the crystal packing is determined by inter-molecular N-H?O hydrogen bonds, and C-H?O and C-H?? inter-actions.

| S-EPMC2961354 | biostudies-literature

Methyl 2,2-bis-(2,4-dinitro-phen-yl)ethano-ate.

Project description:In the title compound, C(15)H(10)N(4)O(10), the dihedral angle between the aromatic rings is 89.05?(16)°. One O atom of one of the nitro groups is disordered over two sites in a 0.70:0.30 ratio. In the crystal, the mol-ecules are linked by weak C-H?O inter-actions.

| S-EPMC3201509 | biostudies-literature

Methyl 9-diethyl-amino-2,2-bis-(4-meth-oxy-phen-yl)-2H-benzo[h]chromene-5-carboxyl-ate.

Project description:In the title compound, C(31)H(29)NO(5), the methyl carboxyl-ate and dimethyl-amino groups on the naphtho-pyran group are almost coplanar with the naphtho-pyran ring system [r.m.s. deviations = 0.08?(2) and 0.161?(2)?Å, respectively]. The dihedral angle between the methyl carboxyl-ate and dimethyl-amino groups is 4.9?(1)°. The pyran ring has an envelope conformation with the quaternary C atom out of plane by 0.4739?(13)?Å. The meth-oxy-phenyl substituent forms a dihedral angle of 16.6?(1)° with the plane of the benzene ring, while the other meth-oxy-phenyl group is almost coplanar, making a dihedral angle of 1.4?(1)°.

| S-EPMC3100025 | biostudies-literature

Methyl 2-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl-idene)(4-nitro-phen-yl)meth-yl]amino}-3-phenyl-propano-ate.

Project description:The mol-ecule of the title compound, C(27)H(24)N(4)O(5), exists in the keto-enamine tautomeric form, stabilized by an intra-molecular N-H?O hydrogen bond. An intra-molecular C-H?·O hydrogen bond also occurs. In the crystal, C-H?O hydrogen bonds link the mol-ecules into chains.

| S-EPMC3344020 | 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