Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

{2,2-Bis[(4S)-4-isopropyl-4,5-dihydro-1,3-oxazol-2-yl]propane}-bis-(N,N-dimethyl-formamide)-copper(II) bis-[hexa-fluoridoanti-monate(V)].

ABSTRACT: In the title compound, [Cu(C(15)H(26)N(2)O(2))(C(3)H(7)NO)(2)][SbF(6)](2), which is a potential catalyst in the catalytic asymmetric Gosteli-Claisen rearrangement, the central Cu(II) atom is in a nearly square-planar cis-N(2)O(2) environment in the cation arising from its coordination by an N,N-bidentate 2,2-bis-[(4S)-4-isopropyl-4,5-dihydro-1,3-oxazol-2-yl]propane ligand and two O-bonded N,N-dimethyl-formamide mol-ecules. Two SbF(6) (-) anions are positioned on opposite sides of the plane through the CuN(2)O(2) unit, generating an axially distorted CuN(2)O(2)F(2) octa-hedral geometry for the metal ion.

SUBMITTER: Zeh J

PROVIDER: S-EPMC3011664 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

{2,2-Bis[(4S)-4-isopropyl-4,5-dihydro-1,3-oxazol-2-yl]propane}-bis-(N,N-dimethyl-formamide)-copper(II) bis-[hexa-fluoridoanti-monate(V)].

Zeh Julia J Möller Melina M Strohmann Carsten C Preut Hans H Hiersemann Martin M

Acta crystallographica. Section E, Structure reports online 20101127 Pt 12

In the title compound, [Cu(C(15)H(26)N(2)O(2))(C(3)H(7)NO)(2)][SbF(6)](2), which is a potential catalyst in the catalytic asymmetric Gosteli-Claisen rearrangement, the central Cu(II) atom is in a nearly square-planar cis-N(2)O(2) environment in the cation arising from its coordination by an N,N-bidentate 2,2-bis-[(4S)-4-isopropyl-4,5-dihydro-1,3-oxazol-2-yl]propane ligand and two O-bonded N,N-dimethyl-formamide mol-ecules. Two SbF(6) (-) anions are positioned on opposite sides of the plane throu ...[more]

PMID: 21589344

Similar Datasets

{2,2-Bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propane}bis-(N,N-di-methyl-formamide)copper(II) bis-(hexa-fluoridoantimonate).

Project description:In the title compound, [Cu(C(17)H(30)N(2)O(2))(C(3)H(7)NO)(2)][SbF(6)](2), which is a potential catalyst in the asymmetric Gosteli-Claisen rearrangement, the Cu atom adopts a distorted cis-CuN(2)O(2) square-planar geometry arising from N,N'-bidentate coordin-ation by the chiral ligand and two O-bonded dimethyl-formamide mol-ecules. Two short C-H?O contacts occur within the ligand and two weak inter-molecular C-H?F bonds may help to establish the packing.

| S-EPMC2969361 | biostudies-literature

μ-Bromido-dibromido-μ-hydroxido-bis-[(4S)-2-halo-6-(4-isopropyl-4,5-dihydro-oxazol-2-yl)pyridine]dicopper(II) (halo: Cl/Br = 3:1).

Project description:The crystal structure of the title complex, [Cu(2)Br(3)(OH)(C(11)H(13)Br(0.5)Cl(1.5)N(2)O)(2)], consists of two (2-halo-6-oxazolin-yl)pyridine·CuBr units bridged by a Br atom and a hydroxide group. The Cu(II) atoms are five-coordinate with an (N,N)BrCu(Br)(OH) distorted tetra-gonal-pyramidal core, and relatively short contacts to the bridging atoms (Cu-μ-OH and Cu-μ-Br). There are two symmetry-independent half-mol-ecules in the asymmetric unit, which differ only in the arrangement of the isopropyl group. The mol-ecules are located on a twofold rotation axes.

| S-EPMC2914915 | biostudies-literature

2,6-Bis[(S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine.

Project description:The commercially available title compound, C(25)H(23)N(3)O(2), has been known since 1993 [Nesper et al. (1993 ?). Helv. Chim. Acta, 76, 2239-2249], but has not been structurally characterized until now. In the free ligand, the N atoms of both oxazoline rings point in opposite directions. The phenyl rings make dihedral angles of 30.56?(5) and 84.57?(3)° with the pyridine ring and 72.85?(3)° with each other.

| S-EPMC3089107 | biostudies-literature

Tetra-kis[μ-1,3-bis-(4,5-dihydro-1,3-oxazol-2-yl)benzene-κ(2)N:N']tris-ilver(I) tris-(hexa-fluoridophosphate).

Project description:In the title compound, [Ag(3)(C(12)H(12)N(2)O(2))(4)](PF(6))(3), one Ag(I) ion, lying on a twofold rotation axis, is coordinated by four N atoms from four 1,3-bis-(4,5-dihydro-1,3-oxazol-2-yl)benzene (L) ligands in a distorted tetra-hedral geometry and the other Ag(I) ion is coordinated by two N atoms from two L ligands in a bent arrangement [N-Ag-N = 169.03 (17)°]. Two L ligands adopt a syn conformation, while the other two adopt an anti conformation. They bridge adjacent Ag(I) ions, forming a trinuclear complex. One of the PF(6) (-) anions is half-occupied, with the P atom located on a twofold rotation axis. The PF(6) (-) anions link the complex mol-ecules via Ag⋯F inter-actions [2.80 (2) and 2.85 (2) Å] into a polymeric chain along [100].

| S-EPMC3435593 | biostudies-literature

2-(4,5-Dihydro-1,3-oxazol-2-yl)quinoline.

Project description:The title compound, C(12)H(10)N(2)O, is approximately planar. The angle between the quinoline and 4,5-dihydro-oxazole ring systems is 11.91 (12)°. The mol-ecules pack into a herringbone array with no significant π-π inter-actions. The dihydro-oxazole N and O atoms are disordered over two positions, with almost equal site occupancy factors.

| S-EPMC2915222 | biostudies-literature

Poly[[?-1,4-bis-(4,5-dihydro-1,3-oxazol-2-yl)benzene-?N:N']di-?-bromido-cadmium].

Project description:In the title coordination polymer, [CdBr(2)(C(12)H(12)N(2)O(2))](n), the Cd(II) ion, situated on an inversion centre, is coordinated by four bridging Br atoms and two N atoms from two 1,4-bis-(4,5-dihydro-1,3-oxazol-2-yl)benzene (L) ligands in a distorted octa-hedral geometry. The L ligand, which also lies across an inversion centre, bridges two Cd(II) ions, forming layers parallel to (010).

| S-EPMC3212171 | biostudies-literature

catena-Poly[[bis-(nitrato-?O)copper(II)]-?-1,4-bis-(4,5-dihydro-1,3-oxazol-2-yl)-benzene-?N:N'].

Project description:In the title coordination polymer, [Cu(NO(3))(2)(C(12)H(12)N(2)O(2))](n), the Cu(II) ion, situated on an inversion center, is coordinated by two O atoms from two nitrate anions and two N atoms from two 1,4-bis-(4,5-dihydro-1,3-oxazol-2-yl)benzene (L) ligands in a distorted square-planar geometry. Each L ligand also lies across an inversion center and bridges two Cu(II) ions, forming a polymeric chain running along the [101] direction. The three O atoms of the nitrate group are disordered over two positions in a 3:2 ratio.

| S-EPMC3152049 | biostudies-literature

rac-(3S,4S)-3-Hy-droxy-4-phenyl-1-[(S)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)meth-yl]-4,5-dihydro-1H-1,5-benzo-diazepin-2(3H)-one.

Project description:In the title compound, C(25)H(23)N(3)O(3), the seven-membered diazepine ring adopts a boat conformation with the hydroxy-substituted C atom at the prow and fused-ring C atoms at the stern. The crystal packing features C-H?O, C-H?? and N-H ?? inter-actions.

| S-EPMC3100042 | biostudies-literature

N-{2-[(4S)-4-tert-Butyl-4,5-dihydro-1,3-oxazol-2-yl]phen-yl}-5,6-diphenyl-1,2,4-triazin-3-amine.

Project description:The title compound, C(28)H(27)N(5)O, was synthesized using palladium cross-coupling amination of 3-bromo-5,6-diphenyl-1,2,4-triazine with 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]aniline. The oxazoline ring is almost planar, with a maximum atomic deviation of 0.023 (5) Å. The phenyl rings make dihedral angles of 29.0 (1) and 54.6 (1)° with the triazine ring while the benzene ring makes a dihedral angle of 0.6 (1)° with the oxazoline ring. The conformation of the mol-ecule is influenced by strong intra-molecular N-H⋯N and weak C-H⋯N hydrogen bonds. In the crystal, screw-axis related mol-ecules are linked into supra-molecular chains by inter-molecular C-H⋯O hydrogen bonds. π-π stacking is observed between the oxazoline and triazine rings of adjacent mol-ecules, with a centroid-centroid distance of 3.749 (2) Å.

| S-EPMC3052057 | biostudies-literature

Poly[[?(2)-1,4-bis-(4,5-dihydro-1,3-oxazol-2-yl)benzene-?N:N']di-?(2)-chlorido-cadmium].

Project description:In the title coordination polymer, [CdCl(2)(C(12)H(12)N(2)O(2))](n), the Cd(II) ion, situated on an inversion center, is coordinated by four bridging Cl atoms and two N atoms from two 1,4-bis-(4,5-dihydro-1,3--oxazol-2-yl)benzene (L) ligands in a distorted octa-hedral geometry. Each L ligand also lies across an inversion center and bridges two Cd(II) ions, forming infinite two-dimensional recta-ngular layers running parallel to (010).

| S-EPMC3212158 | 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