Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(1R,4R,5R)-1,3,4-Triphenyl-7-[(R)-1-phenyl-ethyl]-2-oxa-3,7-diaza-spiro-[4.5]decan-10-one.

ABSTRACT: In the title compound, C(33)H(32)N(2)O(2), the polysubstituted piperidine ring adopts a chair conformation. The isoxazolidine ring is in an envelope conformation. In the crystal structure, intra- and inter-molecular C-H?? inter-actions involving the phenyl rings are observed.

SUBMITTER: Malathy A

PROVIDER: S-EPMC2915384 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(1R,4R,5R)-1,3,4-Triphenyl-7-[(R)-1-phenyl-ethyl]-2-oxa-3,7-diaza-spiro-[4.5]decan-10-one.

Malathy A A Kumar R Suresh RS Perumal S S Suresh J J Lakshman Nilantha N

Acta crystallographica. Section E, Structure reports online 20071221 Pt 1

In the title compound, C(33)H(32)N(2)O(2), the polysubstituted piperidine ring adopts a chair conformation. The isoxazolidine ring is in an envelope conformation. In the crystal structure, intra- and inter-molecular C-H⋯π inter-actions involving the phenyl rings are observed. ...[more]

PMID: 21200905

Similar Datasets

(3R*,4R*,5S*)-4-(4-Methyl-phen-yl)-2,3-diphenyl-7-[(R*)-1-phenyl-ethyl]-1-oxa-2,7-diaza-spiro-[4.5]decan-10-one oxime.

Project description:In the title compound, C(34)H(35)N(3)O(2), the polysubstituted piperidine ring adopts a chair conformation and the isoxazolidine ring is in an envelope form. The mol-ecules are linked into a chain along the b axis by O-H?N, C-H?O and C-H?N inter-actions. The chains are cross-linked via weak C-H?? inter-actions.

| S-EPMC2960745 | biostudies-literature

N-{3-[2-(4-Fluoro-phen-oxy)eth-yl]-2,4-dioxo-1,3-diaza-spiro-[4.5]decan-7-yl}-4-methyl-benzamide.

Project description:In the title compound, C(24)H(26)FN(3)O(4), the two aromatic rings form a dihedral angle of 88.81?(15)°. The cyclo-hexane ring adopts a chair conformation and the five-membered ring is essentially planar, with a maximum deviation from planarity of 0.041?(2)?Å. The crystal structure displays inter-molecular C-H?O and N-H?O hydrogen bonds.

| S-EPMC3120289 | biostudies-literature

6-Benzyl-3-(1,4-dioxaspiro-[4.5]decan-2-yl)-8,8-dimethyl-1-oxa-2,6-diaza-spiro-[4.4]non-2-ene-7,9-dione.

Project description:In the title compound, C(23)H(28)N(2)O(5), the 4,5-dihydro-isoxazole ring adopts a slight envelope conformation and the dioxolane ring is in a twisted conformation. The mol-ecular structure, in the vicinity of the benzyl group, may be influenced by an intra-molecular C-H?O hydrogen bond which generates an S(7) ring motif. In the crystal structure, mol-ecules are linked via weak inter-molecular C-H?O hydrogen bonds, forming extended chains along the b axis. Further stabilization is provided by weak C-H?? inter-actions.

| S-EPMC2971287 | biostudies-literature

N-{3-[2-(4-Fluoro-phen-oxy)eth-yl]-2,4-dioxo-1,3-diaza-spiro-[4.5]decan-7-yl}-4-meth-oxy-benzene-sulfonamide.

Project description:In the title compound, C(23)H(26)FN(3)O(6)S, the two terminal aromatic rings form a dihedral angle of 49.26?(12)°. The cyclo-hexane ring adopts a chair conformation and the five-membered ring is essentially planar, with a maximum deviation from planarity of 0.0456?(19)?Å. The dihedral angles between the five-membered ring and the meth-oxy-benzene and fluoro-benzene rings are 33.56?(11) and 81.94?(12)°, respectively. The crystal structure displays N-H?O hydrogen bonds as well as weak inter-molecular C-H?O inter-actions.

| S-EPMC3254531 | biostudies-literature

4-Benzyl-8-phenyl-1-thia-4-aza-spiro-[4.5]decan-3-one.

Project description:In the title compound, C(21)H(23)NOS, the thia-zolidine ring adopts a twist conformation about one of its C-S bonds, while the cyclo-hexane ring has a chair conformation. The S and N atoms attached to the spiro C atom are in axial and equatorial orientations, respectively. The thia-zolidine ring forms dihedral angles of 86.24?(14) and 31.82?(15)° with the directly attached and remote terminal benzene rings, respectively. The dihedral angle between the two terminal benzene rings is 86.74?(14)°. In the crystal, the only significant directional inter-action is a weak C-H?? bond, which generates [010] chains.

| S-EPMC3344557 | biostudies-literature

4-(Pyrimidin-2-yl)-1-thia-4-aza-spiro-[4.5]decan-3-one.

Project description:The title compound, C(12)H(15)N(3)OS, features an envelope conformation for the 1,3-thia-zolidin-4-one ring with the S atom as the flap atom. The pyrimidine ring is almost orthogonal to the 1,3-thia-zolidin-4-one ring as indicated by the N-C-C-N torsion angle of -111.96?(18)°. Supra-molecular dimers are formed in the crystal structure through the agency of C-H?O contacts occurring between centrosymmetrically related mol-ecules. These are linked into supra-molecular tapes along [100] via C-H?S contacts.

| S-EPMC2971766 | biostudies-literature

8-Methyl-4-morpholinoethyl-1-thia-4-aza-spiro-[4.5]decan-3-one.

Project description:In the title compound, C(15)H(26)N(2)O(2)S, the cyclo-hexane and morpholine rings adopt chair conformations, while the thia-zole ring has a twist conformation. An intra-molecular C-H?S hydrogen-bond inter-action forms a five-membered ring. The crystal packing involves C-H?O=C inter-molecular inter-actions where carbonyl O atoms act as double acceptors to two symmetrically related H atoms.

| S-EPMC2962192 | biostudies-other

[(2R,5R,6S,9R)-6-Isopropyl-9-methyl-1,4-dioxaspiro-[4.5]decan-2-yl]methyl 4-bromo-benzoate.

Project description:The title compound, C(20)H(27)BrO(4), a 4-bromo-benzoyl derivative of a stereoisomer of glycerol menthonide, synthesized as part of a study of 3-carbon stereochemical moieties, crystallizes with two crystallographically independent mol-ecules in the asymmetric unit, the two mol-ecules differing only in one of the C-O-C-C torsion angles around the ester O atom [-106.5 (7) and 146.1 (6)°]. The two mol-ecules are crystallographically related by a pseudotranslation along the (011) diagonal of the unit cell, emulating a primitive monoclinic cell of half the volume. The translational symmetry is broken by the 4-bromo-benzoate groups. The crystallographic assignment of the absolute stereochemistry is consistent with having started with (-)-menthone, the acetal C atom is R and the secondary alcohol is R. This brings the bromo-benzoate into approximately the same plane as the menthyl ring and cis to the isopropyl group. The glycerol menthonide sections of the molecules interact with each other via C-H⋯O interactions, leading to the formation of chains either A or B molecules that stretch parallel to [010], forming column-shaped double chains. Interactions between neighboring columns are limited to van der Waals contacts.

| S-EPMC3051951 | biostudies-literature

3-(4-Bromo-phenyl-sulfon-yl)-8-methyl-1,3-diaza-spiro-[4.5]decane-2,4-dione.

Project description:The crystal structure of the title compound, C(15)H(17)BrN(2)O(4)S, is stabilized by inter-molecular N-H?O hydrogen bonds which link the mol-ecules into centrosymmetric dimers. The dihedral angle subtended by the 4-bromo-phenyl group with the mean plane passing through the hydantoin unit is 83.29?(5)°. The cyclo-hexyl group adopts an ideal chair conformation with the methyl group in an equatorial position.

| S-EPMC2977264 | biostudies-literature

rac-2-Hydroxy-2,8-dimethyl-4-morpho-linoethyl-1-thia-4-aza-spiro-[4.5]decan-3-one.

Project description:The title compound, C(16)H(28)N(2)O(3)S, is dimerized by inversion symmetry-related inter-molecular O-H?N hydrogen bonding, forming an R(2) (2)(16) motif. The dimers are also linked through inter-molecular C-H?O hydrogen bonding. The compound is chiral with a stereogenic centre located in the thia-zole ring, but in the crystal structure it forms a racemate. The thia-zole ring has an envelope conformation, while the cyclo-hexane and morpholine rings adopt chair conformations.

| S-EPMC2962193 | 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