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{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

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{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

Tetra-kis[?-1,3-bis-(4,5-dihydro-1,3-oxazol-2-yl)benzene-?(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

2,6-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

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 ?-? 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

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