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{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).

ABSTRACT: 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.

SUBMITTER: Rehbein J

PROVIDER: S-EPMC2969361 | biostudies-literature | 2009

REPOSITORIES: biostudies-literature

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{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).

Rehbein Julia J Schürmann Markus M Preut Hans H Hiersemann Martin M

Acta crystallographica. Section E, Structure reports online 20090606 Pt 7

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. ...[more]

PMID: 21582678

Similar Datasets

{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)].

Project description: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.

| S-EPMC3011664 | 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

1,3-Bis(4-tert-butyl-benz-yl)-4,5-dihydro-imidazolium chloride monohydrate.

Project description:In the title compound, C(25)H(35)N(2) (+)·Cl(-)·H(2)O, the imidazolidine ring adopts a twisted conformation, with a pseudo-twofold axis passing through the N-C-N carbon and the opposite C-C bond. The N-C-N fragment of the imidazolidine ring shows some degree of both double- and single-bond character due to partial electron delocalization. One of the tert-butyl groups is disordered over two conformations with occupancies of 0.714?(8) and 0.286?(8). In the crystal, O-H?Cl and C-H?O hydrogen bonds help to establish the packing.

| S-EPMC2968238 | 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

4,5-Bis(2,4-di-tert-butyl-phen-oxy)phthalonitrile.

Project description:In the title compound, C(36)H(44)N(2)O(2), the dihedral angles between the phthalonitrile ring and the two di-tert-butyl-benzene rings are 68.134 (8) and 70.637 (11)°. The two nitrile groups are almost coplanar with the phthalonitrile ring except for one of the N atoms which deviates from the plane by 0.125 (4) Å. One of the tert-butyl groups is disordered over two orientations, with refined occupancies of 0.814 (6) and 0.186 (6). Intra-molecular C-H⋯O inter-actions stabilize the molecular structure. The crystal packing is stabilized by inter-molecular C-H⋯N inter-actions.

| S-EPMC3051978 | 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

4-tert-Butyl-3',4'-bis-(4-methyl-phen-yl)-3,4-dihydro-1H,4'H-spiro-[naphthalene-2,5'-[1,2]oxazol]-1-one.

Project description:In the title compound, C(30)H(31)NO(2), the cyclo-hexa-none ring in the naphthalene fused-ring system adopts a half-chair conformation, presumably due to conjugation of the benzene ring. The naphthalene ring system makes dihedral angles of 86.63?(7), 65.15?(8) and 63.18?(8)° with respect to the two methyl-benzene planes and the 1,2-oxazole ring system. Inter-molecular C-H?O and C-H?N hydrogen bonding and C-H?? inter-actions stabilize the crystal structure. The H atoms of the two methyl groups of the methyl-phenyl groups are disordered over two positions with equal occupancies.

| S-EPMC3152001 | 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-(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

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