Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Racemic methyl 3,10-dioxa-2-aza-tri-cyclo-[6.2.1.0]undecane-4-carboxyl-ate.

ABSTRACT: The structure of the racemic title compound, C(10)H(15)NO(4), consists of a tricyclic skeleton comprising a six-membered piperidine ring and five-membered isoxazolidine and tetra-hydro-furan rings. The piperidine ring adopts a distorted chair conformation, while the isoxazolidine and tetra-hydro-furan rings have envelope conformations.

SUBMITTER: Moosa BA

PROVIDER: S-EPMC3089240 | biostudies-other | 2011 May

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Racemic methyl 3,10-dioxa-2-aza-tri-cyclo-[6.2.1.0]undecane-4-carboxyl-ate.

Moosa Basem A BA Fazal Atif A Ali Shaikh A SA Fettouhi Mohammed M

Acta crystallographica. Section E, Structure reports online 20110429 Pt 5

The structure of the racemic title compound, C(10)H(15)NO(4), consists of a tricyclic skeleton comprising a six-membered piperidine ring and five-membered isoxazolidine and tetra-hydro-furan rings. The piperidine ring adopts a distorted chair conformation, while the isoxazolidine and tetra-hydro-furan rings have envelope conformations. ...[more]

PMID: 21754538

Similar Datasets

1-Aza-niumyl-cyclo-butane-1-carboxyl-ate monohydrate.

Project description:In the title compound, C5H9NO2·H2O, the amino acid is in the usual zwitterionic form involving the α-carboxyl-ate group. The cyclo-butane backbone of the amino acid is disordered over two conformations, with occupancies of 0.882 (7) and 0.118 (7). In the crystal, N-H⋯O and O-H⋯O hydrogen bonds link the zwitterions [with the water molecule involved as both acceptor (with the NH3 (+)) and donor (through a single carboxylate O from two different aminocyclobutane carb-oxylate moities)], resulting in a two-dimensional layered structure lying parallel to (100).

| S-EPMC3998359 | biostudies-literature

Methyl 11,14,16-triphenyl-8,12-dioxa-14,15-di-aza-tetra-cyclo-[8.7.0.0(2,7).0(13,17)]hepta-deca-2(7),3,5,13(17),15-penta-ene-10-carboxyl-ate.

Project description:In the title compound, C33H26N2O4, the pyrazole ring makes dihedral angles of 15.13 (7) and 60.80 (7)° with the adjacent phenyl rings. Both di-hydro-pyran rings exhibit half-chair conformations. A weak intra-molecular C-H⋯O inter-action occurs. In the crystal, mol-ecules are linked into inversion dimers through pairs of C-H⋯N inter-actions. Weak C-H⋯π inter-actions are also observed.

| S-EPMC3772469 | biostudies-literature

2-Isopropyl-5-methyl-cyclo-hexyl quinoline-2-carboxyl-ate.

Project description:In the title compound, C20H25NO2, the cyclo-hexyl ring adopts a slightly disordered chair conformation. The dihedral angle between the mean planes of the quinoline ring and the carboxyl-ate group is 22.2 (6)°. In the crystal, weak C-H⋯N inter-actions make chains along [010].

| S-EPMC3914080 | biostudies-literature

Methyl 4-(tri-fluoro-meth-yl)-1H-pyrrole-3-carboxyl-ate.

Project description:In the title compound, C7H6F3NO2, all the non-H atoms except for one of the F atoms lie on a crystallographic mirror plane. In the crystal, the mol-ecules are linked into inversion dimers by pairs of C-H?F inter-actions, forming R 2 (2)(10) loops. These dimers are connected into C(6) chains along [001] through N-H?O hydrogen bonds. Aromatic ?-? stacking inter-actions [centroid-centroid separation = 3.8416?(10) A°] connect the mol-ecules into a three-dimensional network.

| S-EPMC3790426 | biostudies-literature

Methyl c-1-cyano-t-2-methyl-sulfonyl-3-phenyl-cyclo-propane-carboxyl-ate.

Project description:The title compound, C(13)H(13)NO(4)S, is a racemic mixture of enanti-omers. Short intra-molecular contacts between sulfonyl O and ester carbonyl C atoms are observed [C?O = 2.881?(1), 2.882?(1) and 2.686?(1) Å], indicating the possibility of donor-acceptor inter-actions between these groups. The dihedral angle between the phenyl and cyclopropyl rings is 79.3?(1)°.

| S-EPMC3120552 | biostudies-literature

Crystal structure of methyl 6-meth-oxy-11-(4-meth-oxy-phen-yl)-16-methyl-14-phenyl-8,12-dioxa-14,15-di-aza-tetra-cyclo-[8.7.0.0(2,7).0(13,17)]hepta-deca-2(7),3,5,13(17),15-penta-ene-10-carboxyl-ate.

Project description:In the title compound, C30H28N2O6, the pyran ring adopts a slightly distorted half-chair conformation and the pyrone ring adopts an envelope conformation, with the C atom bearing the carboxyl-ate group as the flap. The pyrazole ring [maximum deviation = 0.002 (2) Å] forms a dihedral angle of 13.2 (1)° with the attached benzene ring. The near-planar atoms of the pyran ring and the pyrazole ring are close to coplanar, the dihedral angles between their mean planes being 6.4 (1)°. The dihedral angle between the pyrone ring and the benzene ring of the chromene unit is 10.7 (1)°. The mol-ecular conformation is stabilized by an intra-molecular C-H⋯O hydrogen bond, which generates an S(6) ring motif. In the crystal, C-H⋯O inter-actions generate supra-molecular chains propagating in [100] and these are connected into double layers that stack along the c-axis direction by weak π-π inter-actions between pyrazole rings [centroid-centroid distance = 3.801 (1) Å].

| S-EPMC4186142 | biostudies-literature

Methyl 1-cyclo-hexyl-6,7-dimeth-oxy-3,4-dihydro-isoquinoline-3-carboxyl-ate.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(19)H(25)NO(4). A single C-H?? inter-action and various inter-molecular contacts (2.65-2.83?Å) link the independent mol-ecules in the crystal structure. The N-containing six-membered ring assumes a twisted half-boat conformation.

| S-EPMC3100070 | biostudies-literature

Ethyl 8,13-dioxa-21-aza-penta-cyclo-[18.5.1.0(2,7).0(14,19).0(21,25)]hexa-cosa-2(7),3,5,14,16,18-hexa-ene-26-carboxyl-ate.

Project description:In the title compound, C26H31NO4, the five-membered rings of the central pyrrolizine system adopt N-envelope conformations. The ethyl acetate group adopts an extended conformation. The dihedral angle between the benzene rings is 36.6?(1)°. In the crystal, C-H?O hydrogen bonds form a zigzag chain running along the b-axis directions. The crystal structure is futher consolidated by C-H?? inter-actions.

| S-EPMC3588371 | biostudies-other

Ethyl 1,3,10,12-tetra-phenyl-19,20-dioxa-hexa-cyclo-[10.6.1.1.0.0.0]icosa-4(9),5,7,13(18),14,16-hexa-ene-2-carboxyl-ate.

Project description:The title compound, C(45)H(34)O(4), is the product of a tandem 'pincer' Diels-Alder reaction consisting of two consecutive [4 + 2] cyclo-additions between two 2-benzofuran units and ethyl propiolate. The mol-ecule comprises a fused hexa-cyclic system containing four five-membered rings, which are in the usual envelope conformation, and two six-membered rings. In addition, four phenyl rings are attached to the hexa-cyclic system. The packing is stabilized by C-H?? inter-actions.

| S-EPMC3011453 | biostudies-literature

Methyl pyrazine-2-carboxyl-ate.

Project description:The title compound, C(6)H(6)N(2)O(2), is approximately planar [r.m.s. deviation = 0.0488?(3)?Å]. In the crystal, weak inter-molecular C-H?O and C-H?N inter-actions join the mol-ecules into an infinite three-dimensional network.

| S-EPMC2971415 | 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