Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Ethyl 1-(4-methoxy-phen-yl)-2-nitro-3-[4-oxo-3-phenyl-1-(4-methoxy-phen-yl)azetidin-2-yl]-2,3,10,10a-tetra-hydro-1H,5H-pyrrolo[1,2-b]isoquinoline-10a-carboxyl-ate.

ABSTRACT: In the mol-ecule of the title compound, C(38)H(37)N(3)O(7), the pyrrolidine ring adopts a twist conformation and the six-membered heterocyclic ring has a boat conformation. In the crystal structure, mol-ecules are linked into a three-dimensional framework through inter-molecular C-H⋯O hydrogen bonds. One ethyl group is disordered over two positions with occupancies 0.67 (2)/0.33 (2).

SUBMITTER: Kamala ET

PROVIDER: S-EPMC2961124 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Ethyl 1-(4-methoxy-phen-yl)-2-nitro-3-[4-oxo-3-phenyl-1-(4-methoxy-phen-yl)azetidin-2-yl]-2,3,10,10a-tetra-hydro-1H,5H-pyrrolo[1,2-b]isoquinoline-10a-carboxyl-ate.

Kamala E Theboral Sugi ET Nirmala S S Sudha L L Arumugam N N Raghunathan R R

Acta crystallographica. Section E, Structure reports online 20080423 Pt 5

In the mol-ecule of the title compound, C(38)H(37)N(3)O(7), the pyrrolidine ring adopts a twist conformation and the six-membered heterocyclic ring has a boat conformation. In the crystal structure, mol-ecules are linked into a three-dimensional framework through inter-molecular C-H⋯O hydrogen bonds. One ethyl group is disordered over two positions with occupancies 0.67 (2)/0.33 (2). ...[more]

PMID: 21202371

Similar Datasets

Ethyl 3-[1-(4-methoxy-phen-yl)-4-oxo-3-phenylazetidin-2-yl]-2-nitro-1-phenyl-2,3,10,10a-tetra-hydro-1H,5H-pyrrolo[1,2-b]isoquinoline-10a-carboxyl-ate.

Project description:In the title mol-ecule, C(37)H(35)N(3)O(6), the pyrrolidine ring adopts a twist conformation and the piperidine ring is in a distorted boat conformation. One of the phenyl rings is disordered over two positions with occupancies of 0.54 (2) and 0.46 (2) and the ethyl carboxyl-ate group is also disordered over two orientations with occupancies of 0.75 (1) and 0.25 (1).

| S-EPMC2983610 | biostudies-literature

Ethyl 1-(4-chloro-phen-yl)-3-[1-(4-meth-oxy-phen-yl)-4-oxo-3-phenyl-azetidin-2-yl]-2-nitro-2,3,10,10a-tetra-hydro-1H,5H-pyr-rolo[1,2-b]isoquinoline-10a-carboxyl-ate.

Project description:In the title compound, C(37)H(34)ClN(3)O(6), the pyrrolidine and piperidine rings adopt envelope and boat conformations, respectively. The β-lactam ring is planar and forms dihedral angles of 21.3 (2) and 73.9 (2)°, respectively, with the attached methoxy-phenyl and phenyl rings. Intra-molecular C-H⋯O and C-H⋯N hydrogen bonds are observed. Centrosym-metrically related mol-ecules are linked together by weak C-H⋯O hydrogen bonds to form dimers.

| S-EPMC2959299 | 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

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 β-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⋯π inter-actions.

| S-EPMC2961354 | biostudies-literature

Methyl trans-(±)-1-oxo-2-phenethyl-3-(thio-phen-2-yl)-1,2,3,4-tetra-hydro-isoquinoline-4-carboxyl-ate.

Project description:In the title compound, C(23)H(21)NO(3)S, the piperidine ring of the tetra-hydro-isoquinolinone unit adopts a screw-boat conformation. The thio-phene ring is disordered in a 0.700 (3):0.300 (3) ratio by an approximate 180° rotation of the ring around the C-C bond linking the ring to the tetra-hydro-isoquinolinone unit. The benzene ring of the tetra-hydro-isoquinolinone unit makes dihedral angles of 83.1 (2) and 62.38 (11)° with the major occupancy thio-phene ring and the phenyl ring, respectively. The dihedral angle between the phenyl ring and the thio-phene ring is 71.0 (2)°. In the crystal structure, mol-ecules are linked together by inter-molecular C-H⋯O and C-H⋯π inter-actions.

| S-EPMC2969771 | biostudies-literature

Dimethyl 3-(cyclo-propyl-carbon-yl)pyrrolo-[2,1-a]isoquinoline-1,2-dicarboxyl-ate.

Project description:In the mol-ecular structure of the title compound, C(20)H(17)NO(5), two intra-molecular C-H⋯O hydrogen bond generate six- and seven-membered ring motifs. The dihedral angles between the almost planar 13-atom triple-fused-ring system (r.m.s. deviation = 0.003 Å) and the planes of the two meth-oxy-carbonyl substituents are 61.7 (2) and 33.01 (10)°.

| S-EPMC3344550 | biostudies-literature

Ethyl 4-(4-methoxy-phen-yl)-2-oxo-6-phenyl-cyclo-hex-3-ene-1-carboxyl-ate.

Project description:The asymmetric unit of the title compound, C(22)H(22)O(4), consists of two independent mol-ecules (A and B) which differ significantly in the orientations of ethyl carboxyl-ate groups. The phenyl ring in mol-ecule B is disordered over two orientations with occupancies of 0.55 (2) and 0.45 (2). The cyclo-hexenone ring of both mol-ecules adopts an envelope conformation. The dihedral angle between the two aromatic rings is 81.12 (7)° in mol-ecule A and 70.8 (3)° in mol-ecule B [57.5 (4)° in the minor disorder component]. The crystal structure is stabilized by weak intermolecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions.

| S-EPMC2960071 | biostudies-literature

4-(9-Anthr-yl)-1-(2-methoxy-phen-yl)spiro-[azetidin-3,9'-xanthen]-2-one.

Project description:The stabilized conformation of the title compound, C(36)H(25)NO(3), 4-(9-anthryl)-1-(2-methoxyphenyl)-spiro[azetid-in-3,9'-xanthen]-2-one, may be compared with that of the isomeric compound 4-(9-anthr-yl)-1-(4-methoxy-phen-yl)spiro-[azetidin-3,9'-xanthen]-2-one. In the title isomer, the meth-oxy group is slightly twisted out of the plane of the attached benzene ring, with a C-O-C-C torsion angle of 31.5 (2)°. Its β-lactam ring is essentially planar, with a maximum deviation of -0.021 (1) Å. The β-lactam ring makes dihedral angles of 18.815 (9), 83.33 (7) and 53.62 (8)° with the mean planes of the benzene, xanthene and anthracene ring systems, respectively. The structure is stabilized by C-H⋯π, C-H⋯N and C-H⋯O inter-actions.

| S-EPMC2968572 | biostudies-literature

4-(9-Anthr-yl)-1-(4-methoxy-phen-yl)spiro-[azetidin-3,9'-xanthen]-2-one.

Project description:In the title mol-ecule, C(36)H(25)NO(3), the β-lactam ring is essentially planar, with a dihedral angle of 3.3 (2)° between the two separate three-atom N/C/C planes. The β-lactam ring makes dihedral angles of 28.45 (14), 87.4 (1) and 51.8 (1)° with the mean planes of the benzene, xanthene and anthracene ring systems, respectively. In addition to a weak intra-molecular C-H⋯N hydrogen bond, the crystal structure is stabilized by two weak inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC2961274 | biostudies-literature

(3R,4S)-1-(4-Meth-oxy-phen-yl)-2-oxo-4-(3-vinyl-phen-yl)azetidin-3-yl acetate.

Project description:In the title compound, C20H19NO4, the absolute configuration (3R,4S) for the two chiral centres of the mol-ecule has been determined.

| S-EPMC3629641 | 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