Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3,9-Diisopropyl-2,4,8,10-tetra-thia-spiro-[5.5]undeca-ne.

ABSTRACT: The mol-ecule of the title compound, C(13)H(24)S(4), has C2 symmetry and it crystallizes as a racemate. The structure displays two six-membered rings exhibiting chair conformations, with the isopropyl substituents in equatorial positions. In the crystal structure, weak inter-molecular C-H?S inter-actions are observed, leading to a channel-like arrangement along the c axis.

SUBMITTER: Gaz SA

PROVIDER: S-EPMC2983234 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

3,9-Diisopropyl-2,4,8,10-tetra-thia-spiro-[5.5]undeca-ne.

Gâz Serban Andrei SA Dobra Ioana I Woiczechowski-Pop Adrian A Varga Richard A RA Grosu Ion I

Acta crystallographica. Section E, Structure reports online 20100925 Pt 10

The mol-ecule of the title compound, C(13)H(24)S(4), has C2 symmetry and it crystallizes as a racemate. The structure displays two six-membered rings exhibiting chair conformations, with the isopropyl substituents in equatorial positions. In the crystal structure, weak inter-molecular C-H⋯S inter-actions are observed, leading to a channel-like arrangement along the c axis. ...[more]

PMID: 21587592

Similar Datasets

3,3,9,9-Tetra-phenyl-2,4,8,10-tetra-oxa-spiro-[5.5]undeca-ne.

Project description:In the title compound, C(31)H(28)O(4), the asymmetric unit contains two crystallographically independent mol-ecules. In these two mol-ecules, the four dihedral angles between each pair of phenyl rings on the same C atoms are 75.4?(1), 83.0?(1), 85.0?(1) and 80.4?(2)°. All of the nonplanar six-membered heterocycles adopt chair conformations. Inter-molecular C-H?? and weak C-H?O inter-actions link the mol-ecules and are effective in the stabilization of the crystal structure.

| S-EPMC3009283 | biostudies-literature

3,9-Di-1-naphthyl-2,4,8,10-tetra-oxa-spiro-[5.5]undeca-ne.

Project description:In the title compound, C(27)H(24)O(4), the 1,3-dioxane rings have chair conformations. The mol-ecule has non-crystallographic twofold rotation symmetry. The dihedral angle between the naphthalene ring systems is 17.96(4)° In the crystal structure, weak inter-molecular C-H?? inter-actions contribute to the crystal packing.

| S-EPMC2979257 | biostudies-literature

3,9-Di-tert-butyl-2,4,8,10-tetra-oxaspiro-[5.5]undeca-ne.

Project description:The title compound, C(15)H(28)O(4), was prepared by the condensation of pivalaldehyde with penta-erythritol. In the crystal, the two halves of the mol-ecule are related by a crystallographic twofold rotation axis passing through the central spiro-C atom. The two non-planar six-membered heterocycles both adopt chair conformations with the two tert-butyl groups both located in the equatorial positions.

| S-EPMC3011739 | biostudies-literature

Crystal structure of rac-3,9-bis-(2,6-di-fluoro-phen-yl)-2,4,8,10-tetra-oxa-spiro[5.5]undeca-ne.

Project description:The title compound, C19H16F4O4, was prepared by the condensation reaction of 2,6-di-fluoro-benzaldehyde and penta-erythritol. The whole mol-ecule is generated by twofold rotational symmetry. The two six-membered O-heterocycles adopt chair conformations through a shared spiro-carbon atom that is located on the crystallographic twofold rotation axis. In this conformation, the two aromatic rings are located at the equatorial positions of the O-heterocycles. The conformation of this doubly substituted tetra-oxa-spiro system is chiral. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming layers parallel to (100). These layers are linked by C-H?F hydrogen bonds into a three-dimensional structure.

| S-EPMC4384547 | biostudies-literature

3,9-Bis(2-chloro-phen-yl)-2,4,8,10-tetra-oxaspiro-[5.5]undeca-ne.

Project description:The complete mol-ecule of the title compound, C(19)H(18)Cl(2)O(4), is generated by a crystallographic twofold axis that passes through the spiro C atom. The 1,3-dioxane ring adopts a chair conformation and the phenyl substituent occupies an equatorial site.

| S-EPMC2979752 | biostudies-literature

3,9-Bis(2,4-dichloro-phen-yl)-2,4,8,10-tetra-oxaspiro-[5.5]undeca-ne.

Project description:In the title compound, C(19)H(16)Cl(4)O(4), the two halves of the mol-ecule are related by a crystallographic twofold rotation axis passing through the central spiro-C atom. The two non-planar six-membered heterocycles both adopt chair conformations, and the dihedral angle between the two benzene rings is 76.6 (1)°. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into chains along the c axis.

| S-EPMC3007031 | biostudies-literature

rac-3,9-Bis(3-chloro-phen-yl)-2,4,8,10-tetra-oxaspiro-[5.5]undeca-ne.

Project description:In the title compound, C(19)H(18)Cl(2)O(4), the two non-planar six-membered heterocycles passing through the spiro-C atom both adopt chair conformations, and the dihedral angle between the two benzene rings is 7.2?(1)°. In the crystal, the enanti-omers with R and S configurations are generated by the symmetry elements of the centrosymmetric space group, forming a racemic crystal. Inter-molecular C-H?? and weak C-H?O inter-actions link the mol-ecules in the crystal structure.

| S-EPMC3201504 | biostudies-other

Bis(1,3-dimesitylimidazol-yl)gold(I) 2,4,8,10-tetra-phenyl-1,3,5,7,9,11-hexa-oxa-2,4,8,10-tetra-bora-6-borataspiro-[5.5]undeca-ne.

Project description:The Au(I) atom in the title compound, [Au(C(21)H(24)N(2))(2)](C(24)H(20)B(5)O(6)), adopts a slightly distorted linear AuC(2) coordination geometry arising from its coordination by two mesitylenic N-heterocyclic carbene ligands, forming an overall cationic complex. The dihedral angle between the imidazole rings is 57.3?(6)°. In the crystal, the components are linked by weak C-H?O hydrogen bonds.

| S-EPMC3120302 | biostudies-literature

3,9-Dimethyl-3,9-bis-(4-nitro-phen-yl)-2,4,8,10-tetra-oxaspiro-[5.5]undeca-ne.

Project description:In the title compound, C(21)H(22)N(2)O(8), both of the nonplanar six-membered heterocycles adopt chair conformations. The dihedral angle between the terminal benzene rings is 58.22?(11)°. Weak inter-molecular C-H?O inter-actions are observed in the crystal structure.

| S-EPMC3120352 | biostudies-other

Positioning of an unprecedented spiro[5.5]undeca ring system into kinase inhibitor space.

Project description:In-house 1,5-oxaza spiroquinone 1, with spiro[5.5]undeca ring system, was announced as an unprecedented anti-inflammatory scaffold through chemistry-oriented synthesis (ChOS), a chemocentric approach. Herein, we studied how to best position the spiro[5.5]undeca ring system in kinase inhibitor space. Notably, late-stage modification of the scaffold 1 into compounds 2a-r enhanced kinase-likeness of the scaffold 1. The improvement could be depicted with (1) selectivity with target shift (from JNK-1 into GSK-3) and (2) potency (>?20-fold). In addition, ATP independent IC50 of compound 2j suggested a unique binding mode of this scaffold between ATP site and substrate site, which was explained by docking based optimal site selection and molecular dynamic simulations of the optimal binding site. Despite the shift of kinase profiling, the anti-inflammatory activity of compounds 2a-r could be retained in hyperactivated microglial cells.

| S-EPMC7719162 | 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