Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(6S,7S,8R,8aS)-6-Ethyl-perhydro-indolizine-7,8-diol.

ABSTRACT: In the title compound, C(10)H(19)NO(2), the piperidine and pyrrolidine rings of the perhydro-indolizine ring system adopt chair and envelope conformations, respectively. In the crystal structure, inter-molecular O-H⋯N and O-H⋯O hydrogen bonds link the mol-ecules into a chain running along the a axis.

SUBMITTER: Svorc L

PROVIDER: S-EPMC3006912 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(6S,7S,8R,8aS)-6-Ethyl-perhydro-indolizine-7,8-diol.

Svorc Lubomír L Vrábel Viktor V Zúžiová Jozefína J Marchalín Stefan S Kožíšek Jozef J

Acta crystallographica. Section E, Structure reports online 20100616 Pt 7

In the title compound, C(10)H(19)NO(2), the piperidine and pyrrolidine rings of the perhydro-indolizine ring system adopt chair and envelope conformations, respectively. In the crystal structure, inter-molecular O-H⋯N and O-H⋯O hydrogen bonds link the mol-ecules into a chain running along the a axis. ...[more]

PMID: 21587892

Similar Datasets

(6S,7S,8S,8aS)-6-Ethyl-3-oxo-1,2,3,5,6,7,8,8a-octa-hydro-indolizine-7,8-diyl diacetate.

Project description:In the mol-ecular structure of the title compound, C(14)H(21)NO(5), the six-membered ring of the indolizine moiety adopts a chair conformation. There are two independent mol-ecules in the asymmetric unit. The oxopyrrolidine ring attached to the indolizine ring system is nearly planar, with mean deviations of 0.018 (3) and 0.010 (3) Å for the two mol-ecules. The absolute configuration of the title compound was assigned from the synthesis.

| S-EPMC3295453 | biostudies-literature

(6S,7S,8S,8aS)-6-Ethyl-7,8-dihy-droxy-1,5,6,7,8,8a-hexa-hydro-indolizin-3(2H)-one monohydrate.

Project description:The absolute configuration of the title compound, C(10)H(17)NO(3)·H(2)O, was assigned from the synthesis. In the mol-ecular structure, the central six-membered ring of the indolizine moiety adopts a chair conformation, with two atoms displaced by -0.578?(2) and 0.651?(1)?Å from the plane of the other four atoms [maximum deviation 0.019?(2)?Å] The conformation of the fused oxopyrrolidine ring is close to that of a flat envelope, with the flap atom displaced by 0.294?(1)?Å from the plane through the remaining four atoms. In the crystal, one of the hy-droxy groups is hydrogen-bonded to two water mol-ecules, while the other hy-droxy group exhibits an inter-molecular hydrogen bond to the carbonyl O atom, resulting in a chain parallel to the b axis.

| S-EPMC3011597 | biostudies-literature

(4R,6S,7S,8S,8aS)-6-Ethyl-7,8-dihy-droxy-4-methyl-1,2,3,5,6,7,8,8a-octa-hydro-indolizin-4-ium iodide.

Project description:The title compound, C(11)H(22)NO(2) (+)·I(-), is a chiral mol-ecule with five stereogenic centres. The absolute configuration was assigned from the synthesis and confirmed by the structure determination. The central six-membered ring of the indolizine system adopts a chair conformation, with two atoms displaced by -0.690 (2) and 0.550 (2) Å from the plane of the other four atoms. The conformation of the pyrrolidine ring is close to that of an envelope, with the flap atom displaced by 0.563 (2) Å from the plane of the remaining four atoms. In the crystal, there are two O-H⋯I hydrogen bonds.

| S-EPMC3239140 | biostudies-literature

(2R,3R,4aS,6S,7S,8aS)-4a-Fluoro-8a-hy-droxy-perhydro-naphthalene-2,3,6,7-tetrayl tetraacetate.

Project description:The title compound, C(18)H(25)FO(9), exhibits a similar unit cell and packing to the α polymorph of axial 4a,8a-dihy-droxy-per-hydro-naph-tha-lene-2,3,6,7-tetrayl tetraacetate. The carbonyl O atoms of two of the four acetate groups in the molecule are disordered over two sites with occupancy ratios of 0.59 (4):0.41 (4) and 0.57 (6):0.43 (6). Crystal packing is effected via inter-molecular O-H⋯O hydrogen bonds, which link the tetra-acetate mol-ecules into tapes along the c axis.

| S-EPMC3011589 | biostudies-literature

(3R,8aS)-3-Ethyl-perhydro-pyrrolo[1,2-a]pyrazine-1,4-dione.

Project description:In the title compound, C(9)H(14)N(2)O(2), the pyrrolidine and piperazine rings adopt envelope and boat conformations, respectively. The chiral centers were assigned on the basis of the known stereogenic center of an enanti-omerically pure starting material and the trans relationship between the H atoms attached to these centers. The crystal packing is stabilized by an inter-molecular hydrogen bond between the N-H group and a carbonyl O atom of the diketopiperazine group, forming zigzag C(5) chains along [010].

| S-EPMC2979809 | biostudies-other

Ethyl (4aR*,7S*,8S*,8aS*)-1-oxo-7-phenyl-3,4,4a,7,8,8a-hexa-hydro-1H-isochromene-8-carboxyl-ate.

Project description:In the title compound, C(18)H(20)O(4), both the tetra-hydro-pyran-one ring and the cyclo-hexene ring adopt envelope conformations. The crystal packing is stabilized by weak inter-molecular C-H?O hydrogen bonding.

| S-EPMC2979652 | biostudies-literature

(7R,8S,8aS)-8-Hydr-oxy-7-phenyl-perhydro-indolizin-3-one.

Project description:In the title compound, C(14)H(17)NO(2), the six-membered ring of the indolizine system adopts a chair conformation. In the crystal, mol-ecules form chains parallel to the b axis via inter-molecular O-H?O hydrogen bonds. The absolute mol-ecular configuration was assigned from the synthesis.

| S-EPMC2969627 | biostudies-literature

5-{[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-Trimethyl-perhydro-3,12-ep-oxy-1,2-dioxepino[4,3-i]isochromen-10-yl]oxymeth-yl}benzene-1,3-diol.

Project description:The title compound, C(22)H(30)O(7), is a fused five-ring system that is of inter-est for its anti-cancer and anti-malarial activity. The six-membered C(6) and C(5)O rings display chair conformations. The six-membered C(3)O(3) ring containing the ether and per-oxy functionalities has a distorted boat conformation, with a C-O-O-C torsion angle of 42.6?(1)° for the per-oxy group. The seven-membered C(6)O ring has a distorted boat-type conformation, while the seven-membered C(5)O(2) ring has a very distorted chair-type conformation. The structure contains inter-molecular O-H?O and O-H?(O,O) bonds that link the mol-ecules into sheets parallel to the (100) planes.

| S-EPMC2968296 | biostudies-literature

(7R,8R,8aS)-8-Hydr-oxy-7-phenyl-per-hydro-indolizin-3-one.

Project description:The absolute configuration of the title compound, C(14)H(17)NO(2), was assigned from the synthesis. There are two mol-ecules in the asymmetric unit. Their geometries are very similar and corresponding bond lengths are almost identical [mean deviation for all non-H atoms = 0.015 (2) Å]. The six-membered ring of the indolizine system adopts a chair conformation. In the crystal structure, mol-ecules form chains parallel to the a axis via inter-molecular O-H⋯O hydrogen bonds, which help to stabilize the crystal structure.

| S-EPMC2968891 | biostudies-literature

Ethyl 3-benzoyl-indolizine-1-carboxyl-ate.

Project description:The title compound, C(18)H(15)NO(3), consists of an indolizine ring system and an aromatic ring. The two ring systems are not coplanar, the dihedral angle between the two being 54.26 (7)°. In the crystal, inversion dimers are formed by weak C-H⋯O interactions. These dimeric groups are further extended to form a regular two-dimensional structure by additional weak C-H⋯O inter-actions.

| S-EPMC3247427 | 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