Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Cis,trans,cis,cis-7-tert-Butyl-dimethyl-silyl-oxy-4,10-dimethyl-tetra-cyclo[5.4.1.0.0]dodecan-2-one.

ABSTRACT: In the structure of the title compound, C(20)H(34)O(2)Si, a cis,trans,cis,cis-[4.5.5.5]fenestrane derivative, the geometry of the central C(C)(4) substructure shows considerable distortion from an ideal tetra-hedral arrangement towards planarity, with two opposite bridgehead bond angles of 128.87 (18) and 122.83 (17)°. The other bridgehead angle of the trans-bicyclo-[3.3.0]octane subunit is also large [126.57 (19)°].

SUBMITTER: Weyermann P

PROVIDER: S-EPMC2979968 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

cis,trans,cis,cis-7-tert-Butyl-dimethyl-silyl-oxy-4,10-dimethyl-tetra-cyclo[5.4.1.0.0]dodecan-2-one.

Weyermann Philipp P Keese Reinhart R Stoeckli-Evans Helen H

Acta crystallographica. Section E, Structure reports online 20100113 Pt 2

In the structure of the title compound, C(20)H(34)O(2)Si, a cis,trans,cis,cis-[4.5.5.5]fenestrane derivative, the geometry of the central C(C)(4) substructure shows considerable distortion from an ideal tetra-hedral arrangement towards planarity, with two opposite bridgehead bond angles of 128.87 (18) and 122.83 (17)°. The other bridgehead angle of the trans-bicyclo-[3.3.0]octane subunit is also large [126.57 (19)°]. ...[more]

PMID: 21579769

Similar Datasets

1,1,3,3-Tetra-tert-butyl-2,2-diisopropyl-4,4-diphenyl-cyclo-tetra-silane.

Project description:The molecule in the structure of the title compound, C34H60Si4, lies on a twofold rotation axis that passes through the two Si atoms, resulting in a planar cyclo-tetra-silane ring. The dihedral angle between the cyclo-tetra-silane ring and the phenyl ring is 68.20 (5)°. The Si-Si bonds [2.4404 (8) and 2.4576 (8) Å] are longer than a standard Si-Si bond (2.34 Å) and the C-Si-C bond angle [97.07 (14)°] of the phenyl-substituted Si atom is smaller than the tetra-hedral bond angle (109.5°). These long bonds and small bond angle are favorable for reducing the steric hindrance among the bulky substituents.

| S-EPMC3588281 | biostudies-literature

Ethyl 1-O-tert-butyl-dimethyl-silyl-2,3-O-isopropyl-idene-5-[(2'S)-tetra-hydro-pyran-2-yl-oxy]-d-glycero-α-d-manno-hepto-furonate.

Project description:The title compound {systematic name: (2S,3R)-ethyl 3-[(3aS,4R,6S,6aS)-6-tert-butyl-dimethyl-silyl-oxy-2,2-dimethyl-per-hydro-furo[3,4-d][1,3]dioxol-4-yl]-2-nitro-3-[(S)-tetra-hydro-2H-pyran-2-yl-oxy]propanoate}, C(23)H(41)NO(10)Si, is the product of the Henry reaction of 1-O-tert-butyl-dimethyl-silyl-2,3-O-isopropyl-idene-α-d-lyxo-penta-dialdo-1,4-furan-ose with ethyl nitro-acetate and the subsequent protection of its C-5 hydr-oxy group as tetra-hydro-pyranyl, in order to avoid the retro-Henry reaction. The tetra-hydro-pyranyl group adopts a chair conformation. The absolute configuration, assumed from the synthesis, was confirmed from the diffraction data.

| S-EPMC2962108 | biostudies-literature

(3R,4S,5R)-Methyl 3,5-bis-[(tert-butyl-dimethyl-sil-yl)-oxy]-4-meth-oxy-cyclo-hex-1-ene-carboxyl-ate.

Project description:The title compound, C21H42O5Si2, was synthesized from (3R,4S,5R)-methyl 3,5-bis-[(tert-butyl-dimethyl-sil-yl)-oxy]-4-hy-droxy-cyclo-hex-1-ene-carboxyl-ate by an esterification reaction. The cyclo-hexene ring adopts a half-chair conformation. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds, forming helical chains propagating along [010].

| S-EPMC3647833 | biostudies-literature

cis,fac-Dichlorido{N-[3,5-di-tert-butyl-2-(trimethyl-silyl-oxy)benz-yl]-N,N-bis-(2-pyridylmeth-yl)amine}(dimethyl sulfoxide)ruthenium(II) dichloro-methane disolvate.

Project description:Reaction of dichloridotetra-kis(dimethyl sulfoxide)ruthenium(II) and N-[3,5-di-tert-butyl-2-(trimethyl-silyl-oxy)benz-yl]-N,N-bis-(2-pyridylmeth-yl)amine (BPPA-TMS) affords the thermodynamic product cis,fac-[RuCl(2)(BPPA-TMS)(DMSO)] and kinetic product trans,mer-[RuCl(2)(BPPA-TMS)(DMSO)]. The title complex, [RuCl(2)(C(30)H(43)N(3)OSi)(C(2)H(6)OS)]·2CH(2)Cl(2), crystallizes as a dichloro-methane disolvate, with two formula units in the asymmetric unit. The complex exhibits a distorted-octa-hedral geometry about the low spin d(6) Ru(II) center. The BPPA-TMS ligand is coordinated in a facial fashion, with the DMSO ligand cis to the aliphatic nitro-gen atom of the BPPA-TMS ligand. One of the two dichloromethane solvate molecules is disordered over two positions in a 0.695:0.305 ratio.

| S-EPMC2971178 | biostudies-literature

2-O-tert-Butyl-dimethyl-silyl-4,6-O-ethyl-idene-myo-insitol 1,3,5-orthoformate.

Project description:In the title compound, C(15)H(26)O(6)Si, the dioxa six-membered ring bonded to the myo-inositol skeleton is in a boat conformation while the rest of the six-membered rings adopt chair conformations.

| S-EPMC3006906 | biostudies-literature

O-(tert-Butyl-dimethyl-silyl)tris-(O-4-methyl-phenyl-sulfon-yl)penta-erythritol.

Project description:IN THE TITLE COMPOUND [SYSTEMATIC NAME: (tert-butyl-dimethyl-silyl)methane-triyl tris-(4-methyl-benzene-sulfonate)], C(32)H(44)O(10)S(3)Si, the central C atom and the Si(IV) center are in a tetra-hedral configuration. The inter-planar angles between pairs of the three benzene rings of the 4-methyl-phenyl-sulfonyl units are 41.15?(10), 18.11?(10) and 44.09?(10)°. C-H?? inter-actions are observed in the crystal structure. Mol-ecules are linked into screw chains along the b axis by weak C-H?O inter-actions. Weak intramolecular C-H?O hydrogen bonds are also present.

| S-EPMC2962104 | biostudies-literature

2-tert-Butyl-6-(cyclo-hexyl-imino-meth-yl)-4-meth-oxy-phenol.

Project description:The asymmetric unit of the title Schiff base compound, C(18)H(27)NO(2), contains two independent mol-ecules in which the C=N bond lengths are 1.278 (2) and 1.280 (2) Å and the cyclo-hexane rings adopt chair conformations. Intra-molecular O-H⋯N hydrogen bonding between hy-droxy and imine groups and weak C-H⋯O hydrogen bonds help to stabilize the mol-ecular structure.

| S-EPMC3152047 | biostudies-literature

Racemic 4-(4-tert-butyl-phen-yl)-2,6-dimethyl-cyclo-hex-3-enecarboxylic acid.

Project description:The chirality of the title compound, C(19)H(26)O(2), is solely generated by the presence of the double bond in the cyclo-hexene ring. This compound was synthesized to study the inter-action of the two enanti-omers in the solid state. The resultant racemate is made up of carboxylic acid RS dimers. Inter-molecular O-H⋯O hydrogen bonds produce centrosymmetric R(2) (2)(8) rings which dimerize the two chiral enanti-omers through their carboxyl groups.

| S-EPMC2960795 | biostudies-literature

tert-Butyl-dimethyl-silanol hemihydrate.

Project description:The crystal structure of the title compound, C(6)H(16)OSi·0.5H(2)O, reveals an asymmetric unit containing two mol-ecules of the silanol and a single water mol-ecule. There is evidence of hydrogen bonding between the three mol-ecules in the asymmetric unit. The H atoms of the silanol OH groups and the water H atoms are each disordered equally over two positions.

| S-EPMC2961358 | biostudies-literature

Bis[μ-N-(tert-butyl-dimethyl-silyl)-N-(pyridin-2-ylmeth-yl)amido]-bis-[methyl-cobalt(II)].

Project description:The green title complex, [Co(2)(CH(3))(2)(C(12)H(21)N(2)Si)(2)], was obtained from bis-{[μ-N-tert-butyl-dimethyl-silyl-N-(pyridin-2-ylmeth-yl)amido]-chloridocobalt(II)} and methyl-lithium in diethyl ether at 195 K via a metathesis reaction. The dimeric cobalt(II) complex exhibits a crystallographic center of inversion in the middle of the Co(2)N(2) ring (average Co-N = 2.050 Å). The Co(II) atom shows a distorted tetra-hedral coordination sphere. The exocyclic Co-N bond length to the pyridyl group shows a similar value of 2.045 (4) Å. The exocyclic methyl group has a rather long Co-C bond length of 2.019 (5) Å.

| S-EPMC3435591 | 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