Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Methyl 9-p-tolyl-8a,9,9a,10,11,12,13,14a-octa-hydro-8H-benzo[f]chromeno[3,4-b]indolizine-8a-carboxyl-ate.

ABSTRACT: In the title compound, C(28)H(29)NO(3), the fused pyrrolidine and piperidine rings of the octa-hydro-indolizine unit exhibit envelope and chair conformations, respectively. The dihedral angle between the naphthalene ring system and the benzene ring is 40.37?(5)°. The crystal packing is stabilized by weak inter-molecular C-H?O inter-actions.

SUBMITTER: Gunasekaran B

PROVIDER: S-EPMC2972086 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Methyl 9-p-tolyl-8a,9,9a,10,11,12,13,14a-octa-hydro-8H-benzo[f]chromeno[3,4-b]indolizine-8a-carboxyl-ate.

Gunasekaran B B Kathiravan S S Raghunathan R R Manivannan V V

Acta crystallographica. Section E, Structure reports online 20091125 Pt 12

In the title compound, C(28)H(29)NO(3), the fused pyrrolidine and piperidine rings of the octa-hydro-indolizine unit exhibit envelope and chair conformations, respectively. The dihedral angle between the naphthalene ring system and the benzene ring is 40.37 (5)°. The crystal packing is stabilized by weak inter-molecular C-H⋯O inter-actions. ...[more]

PMID: 21578900

Similar Datasets

Methyl 4-(4-methoxy-phen-yl)-1,2,3,3a,4,4a,5,12c-octa-hydro-benzo[f]chromeno[3,4-b]pyrrolizine-4a-carboxyl-ate.

Project description:In the title compound, C(27)H(27)NO(4), both the pyrrolidine rings in the pyrrolizine ring system adopt envelope conformations, whereas the dihydro-pyran ring adopts a half-chair conformation. The methoxy-phenyl group is oriented at an angle of 53.72?(4)° with respect to the naphthalene ring system. Intra-molecular C-H?O hydrogen bonds are observed. The crystal structure is stabilized by weak inter-molecular C-H?? inter-actions.

| S-EPMC2977484 | biostudies-literature

Methyl 1-methyl-3-p-tolyl-1,2,3,3a,4,11c-hexa-hydro-benzo[f]chromeno[4,3-b]pyrrole-3a-carboxyl-ate.

Project description:In the title compound, C(25)H(25)NO(3), the dihydro-pyran ring adopts a half-chair conformation, whereas the pyrrolidine ring is in a twist conformation. The tolyl group is oriented at an angle of 82.92 (7)° with respect to the napthalene ring system. In the crystal structure, mol-ecules are linked into centrosymmetric dimers by C-H⋯π inter-actions involving the benzene ring of the tolyl group.

| S-EPMC2977094 | biostudies-literature

Methyl 9-(4-bromo-phen-yl)-8a,9,9a,10,11,12,13,14a-octa-hydro-8H-benzo[f]chromeno[3,4-b]indolizine-8a-car-box-ylate.

Project description:In the title compound, C(27)H(26)BrNO(3), the mean plane of the naphthalene ring system makes a dihedral angle of 22.0?(1)° with the bromo-substituted benzene ring. The pyrrolidine and piperidine rings exhibit envelope and chair conformations, respectively. An inter-molecular C-H?Br inter-action is observed.

| S-EPMC2970191 | biostudies-literature

Methyl 4-(4-chloro-phen-yl)-1,2,3,3a,4,4a,5,12c-octa-hydro-benzo[f]chromeno[3,4-b]pyrrolizine-4a-carboxyl-ate.

Project description:There are two mol-ecules in the asymmetric unit of the title compound, C(26)H(24)ClNO(3). The dihedral angles between the naphthalene ring system and the chloro-phenyl substituent are 58.76?(9) and 51.59?(8)° in the two mol-ecules. In the pyrrolizine ring system, both the pyrrolidine rings adopt envelope conformations and the dihydro-pyran rings adopt half-chair conformations. In the pyrrolizine ring system of one of the mol-ecules, one of the C atoms is disordered over two positions with site occupancies of 0.69?(2) and 0.31?(2). The crystal packing is stabilized by weak intra-molecular C-H?O inter-actions and the crystal packing is stabilized by weak C-H?? inter-actions.

| S-EPMC2983798 | biostudies-other

Methyl 1-methyl-3-phenyl-1,2,3,3a,4,9b-hexa-hydro-benzo[f]chromeno[4,3-b]pyrrole-3a-carboxyl-ate.

Project description:In the title compound, C(24)H(23)NO(3), the dihedral angle between the naphthalene ring system and the phenyl ring is 76.82?(6)°. The pyrrolidine ring adopts an envelope conformation. In the crystal, weak inter-molecular C-H?O and C-H?? inter-actions are observed.

| S-EPMC2977716 | biostudies-literature

Methyl 1-phenyl-3-p-tolyl-1,9b-di-hydro-3H-chromeno[4,3-c]isoxazole-3a(4H)-carboxyl-ate.

Project description:In the title compound, C25H23NO4, the pyran ring of the chroman moiety has an envelope conformation with the methyl-ene C atom as the flap. The isoxazole ring has a twist conformation on the O-C bond. The dihedral angle between their mean planes is 57.87 (9)°. The attached phenyl and benzene rings are twisted away from its mean plane by 56.19 (10) and 50.57 (10)°, respectively. These two rings are normal to each other, subtending a dihedral angle of 89.2 (1)°. In the crystal, there are no classical hydrogen bonds; the mol-ecules are linked via C-H⋯π inter-actions, forming a two-dimensional network lying parallel to (10-1).

| S-EPMC3998385 | biostudies-literature

Methyl 5-phenyl-1,2,3,4,4a,5,5a,13c-octahydro-6H-benzo[f]chromeno[3,4-b]indolizine-5a-carboxyl-ate.

Project description:In the title compound, C(27)H(27)NO(3), the pyrrolidine ring exhibits a twist conformation and the piperidine ring exhibits a chair conformation. The pyrrolidine ring makes dihedral angles of 54.47?(5), 51.50?(5) and 73.37?(6)° with the napthalene ring system and the tetra-hydro-pyran and phenyl rings, respectively. The structure is stabilized by intra-molecular C-H?O and C-H?N inter-actions.

| S-EPMC2977337 | biostudies-literature

Methyl 3-(4-bromo-phen-yl)-1-methyl-1,2,3,3a,4,9b-hexa-hydro-benzo[f]chromeno[4,3-b]pyrrole-3a-carboxyl-ate.

Project description:In the title compound, C(24)H(22)BrNO(3), the dihydro-pyran ring adopts a half-chair conformation, whereas the pyrrolidine ring is in an envelope conformation. The bromo-phenyl group is oriented at an angle of 66.44?(4)° with respect to the naphthalene ring system. In the crystal structure, mol-ecules are linked into centrosymmetric dimers by C-H?? inter-actions and the dimers are connected via C-H?Br hydrogen bonds. The crystal structure is further stabilized by ?-? inter-actions [centroid-centroid distance = 3.453?(1)?Å].

| S-EPMC2977109 | biostudies-literature

Methyl 3-(4-chloro-phen-yl)-1-methyl-1,2,3,3a,4,11c-hexa-hydro-benzo[f]chromeno[4,3-b]pyrrole-3a-carboxyl-ate.

Project description:In the title compound, C(24)H(22)ClNO(3), the dihedral angle between the naphthalene ring system and the chloro-phenyl ring is 67.44?(4)°. The pyrrolidine and dihydro-pyran rings exhibit envelope and half chair conformations, respectively. In the crystal structure, weak C-H?? inter-actions are observed.

| S-EPMC2983657 | biostudies-literature

Methyl 3-(4-methoxy-phen-yl)-1-methyl-1,2,3,3a,4,11b-hexa-hydro-benzo[f]chromeno[4,3-b]pyrrole-3a-carboxyl-ate.

Project description:In the title compound, C(25)H(25)NO(4), the pyrrolidine ring exhibits an envelope conformation and the tetra-hydro-pyran ring exhibits a half-chair conformation. The crystal structure is stabilized by inter-molecular C-H⋯π inter-actions.

| S-EPMC2983994 | 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