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Acetonitrile-[2-(1-{bis-[2,4,6-tris-(trifluoro-meth-yl)phen-yl]phosphan-yloxy}-1-methyl-eth-yl)pyridine]-methyl-palladium(II) hexa-fluoridoanti-monate dichloro-methane hemisolvate.

ABSTRACT: In the title compound, [Pd(CH(3))(C(26)H(14)F(18)NOP)(C(2)H(3)N)][SbF(6)]·0.5CH(2)Cl(2), the Pd(2+) cation has a distorted square-planar environment, being coordinated by the acetonitrile [Pd-N = 2.078 (8) Å] and methyl [Pd-C = 2.052 (9) Å] groups and the bidentate ligand 2-(1-{bis-[2,4,6-tris-(trifluoro-meth-yl)phen-yl]phosphan-yloxy}-1-methyl-eth-yl)pyridine (L). In L, one -CF(3) group is rotationally disordered between two orientations in a 1:1 ratio. The solvent mol-ecule was treated as disordered between two positions related by an inversion center with occupancies fixed at 0.5. The crystal packing exhibits weak inter-molecular C-H⋯F contacts.

SUBMITTER: Li L

PROVIDER: S-EPMC3051981 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

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Acetonitrile-[2-(1-{bis-[2,4,6-tris-(trifluoro-meth-yl)phen-yl]phosphan-yloxy}-1-methyl-eth-yl)pyridine]-methyl-palladium(II) hexa-fluoridoanti-monate dichloro-methane hemisolvate.

Li Liuzhong L White Peter S PS Hao Aiyou A

Acta crystallographica. Section E, Structure reports online 20110223 Pt 3

In the title compound, [Pd(CH(3))(C(26)H(14)F(18)NOP)(C(2)H(3)N)][SbF(6)]·0.5CH(2)Cl(2), the Pd(2+) cation has a distorted square-planar environment, being coordinated by the acetonitrile [Pd-N = 2.078 (8) Å] and methyl [Pd-C = 2.052 (9) Å] groups and the bidentate ligand 2-(1-{bis-[2,4,6-tris-(trifluoro-meth-yl)phen-yl]phosphan-yloxy}-1-methyl-eth-yl)pyridine (L). In L, one -CF(3) group is rotationally disordered between two orientations in a 1:1 ratio. The solvent mol-ecule was treated as diso ...[more]

PMID: 21522289

Similar Datasets

Acetonitrile-[2-({bis[2,4,6-tris-(trifluorido-meth-yl)phen-yl]phosphan-yloxy}meth-yl)pyridine]-meth-ylpalladium(II) hexa-fluoro-anti-monate dichloro-methane hemisolvate.

Project description:In the title compound, [Pd(CH(3))(C(24)H(10)F(18)NOP)(CH(3)CN)][SbF(6)]·0.5CH(2)Cl(2), the Pd(II) atom has a distorted square-planar environment being coordinated by an acetonitrile N atom [Pd-N = 2.079 (3) Å], a methyl C atom [Pd-C = 2.047 (4) Å] and the bidentate ligand 2-({[2,4,6-tris-(trifluoro-meth-yl)phen-yl]phosphan-yloxy}meth-yl)pyridine (L). In L, the short distance of 3.621 (3) Å between the centroids of pyridine and benzene rings indicates the presence of a π-π inter-action. The crystal packing exhibits weak inter-molecular C-H⋯F contacts. The solvent mol-ecule has been treated as disordered between two positions of equal occupancy related by an inversion center.

| S-EPMC3051961 | biostudies-literature

4,6-Bis(diphenyl-phosphan-yl)-2,8-di-methyl-phenoxathiin dichloro-methane monosolvate.

Project description:The title compound, C(38)H(30)OP(2)S·CH(2)Cl(2), belongs to the xanthene family of ligands containing S- and O-donor atoms in the central heterocylic ring. Positions 2 and 8 on the xanthene backbone are functionalized with methyl groups to allow for the selective functionalization of the backbone at positions 4 and 6 with diphenyl-phosphanyl units. The title compound shows a significant 'roof-like' bending along the axis of planarity involving the O- and S-donor atoms and the benzene rings, resulting in a dihedral angle between the mean planes of the benzene rings of 32.88 (13)°.

| S-EPMC3344001 | biostudies-literature

{4-[(2,4-Dichloro-benzo-yloxy)meth-yl]-1-phenyl-1H-1,2,3-triazol-5-yl}methyl 2,4-dichloro-benzoate.

Project description:In the title molecule, C(24)H(15)Cl(4)N(3)O(4), the triazole ring makes dihedral angles of 72.02 (12), 81.60 (12) and 73.82 (11)°, respectively, with the adjacent phenyl ring and the two dichloro-benzene rings. In the crystal, a weak C-H⋯N inter-action, a short Cl⋯Cl contact [3.307 (2) Å] and a π-π stacking inter-action [centroid-centroid distance = 3.568 (4) Å] are observed. An intra-molecular C-H⋯O inter-action is also present.

| S-EPMC3201422 | biostudies-literature

1-[2,6-Dichloro-4-(trifluoro-meth-yl)phen-yl]-5-iodo-4-trifluoro-methyl-sulfinyl-1H-pyrazole-3-carbonitrile.

Project description:In the title compound, C(12)H(2)Cl(2)F(6)IN(3)OS, the dihedral angle between the planes of the benzene and pyrazole rings is 77.8 (2)°. In the crystal, a short I⋯N contact of 2.897 (5) Å occurs.

| S-EPMC2977169 | biostudies-literature

Chlorido{[2-(dicyclo-hexyl-phosphano-yl)eth-yl]bis-[2-(dicyclo-hexyl-phosphan-yl)eth-yl]phosphane}platinum(II) chloride dichloro-methane hemisolvate tetra-hydrate.

Project description:The title compound, [PtCl(C(42)H(78)OP(4))]Cl·0.5CH(2)Cl(2)·4H(2)O, crystallizes as a contact ion-pair with two close inter-molecular C-H⋯Cl(-) contacts between CH acidic αH atoms of the phosphane ligand and the chloride anion. A chloride ligand together with three coordinating P ligand atoms create a slightly distorted square-planar coordination environment around the Pt(II) center. An inter-molecular water O-H⋯Cl(-) and water O-H⋯OP hydrogen-bond network completes the coordination around the anion. In addition, a disordered CH(2)Cl(2) solvent mol-ecule cocrystallized within a hydro-phobic cavity spanned by the dicyclo-hexyl-phosphane ligands.

| S-EPMC2967900 | biostudies-literature

Dichlorido{N-[2-(diphenyl-phosphan-yl)benzyl-idene]-2-(thio-phen-2-yl)ethan-amine-κP,N}platinum(II) dichloro-methane hemisolvate.

Project description:The crystal structure of the title compound, [PtCl(2)(C(25)H(22)NPS)]·0.5CH(2)Cl(2), was determined to establish the coordination properties of the (phosphan-yl)benzyl-idene-methanamine ligand to platinum. In the unit cell two mol-ecules of cis-[PtCl(2)(C(25)H(22)NPS)] are accompanied by a dichloro-methane solvent mol-ecule. The square-planar Pt(2+) coordination sphere is slightly distorted with the bidentate ligand coordinated via the P and the amine N atoms, and the Cl atoms located cis at the two remaining coordination sites. Parts of the thiophene ring and the solvate molecule were modeled as disordered with occupancy ratios of 0.55 (2):0.45 (2) and 0.302 (10):0.198 (10), respectively. Weak C-H⋯Cl inter-actions stabilize the crystal packing.

| S-EPMC3274858 | biostudies-literature

[1,2-Bis(diphenyl-phosphan-yl)ethane-κP,P']{2-[(4-nitro-benzoyl-meth-yl)diphenyl-phosphan-yl]phenyl-κC,C'}palladium(II) trifluoro-methane-sulfonate-dichloro-methane-n-hexane (1/1/0.5).

Project description:In the cation of the title compound, [Pd(C(26)H(19)NO(3)P)(C(26)H(24)P(2))]CF(3)O(3)S·CH(2)Cl(2)·0.5C(6)H(14), the Pd(II) atom has a slightly tetra-hedrally distorted square-planar coordination geometry. The PdC(3)P and PdC(2)P(2) five-membered metallacycles adopt envelope and twist conformations, respectively. In the crystal, inter-molecular C-H⋯O hydrogen bonds link cations and anions into a three-dimensional network. The dichloro-methane solvent mol-ecule is disordered over three orientations with a site-occupancy ratio of 0.5/0.3/0.2. The n-hexane solvent mol-ecule has a crystallographically imposed centre of symmetry.

| S-EPMC3099852 | biostudies-literature

(2E)-1-[2,3-Dichloro-6-methyl-5-(trifluoro-meth-yl)phen-yl]-2-(1-phenyl-ethyl-idene)hydrazine.

Project description:The title compound, C(16)H(13)Cl(2)F(3)N(2), exists in an E conformation with respect to the C=N bond [1.2952?(11)?Å] and the C-N-N=C torsion angle is 175.65?(8)°. The dihedral angle between the benzene rings is 42.09?(4)°. An intra-molecular C-H?F hydrogen bond generates an S(6) ring. In the crystal, the mol-ecules are linked into [101] chains by C-H?F hydrogen bonds.

| S-EPMC3515280 | biostudies-literature

3-(2,4-Dichloro-phen-yl)-5-(4-fluoro-phen-yl)-2-methyl-7-(trifluoro-meth-yl)pyrazolo-[1,5-a]pyrimidine.

Project description:In the title compound, C(20)H(11)Cl(2)F(4)N(3), the central pyrazolo-[1,5-a]pyrimidine unit is almost planar [the mean deviation from the best least-square plane through the nine atoms is 0.006?(2)?Å]. The fluoro-benzene ring is rotated out of this plane by 10.3?(3)°, whereas the dichloro-benzene ring is rotated by 46.2?(3)°. The crystal packing is dominated by Cl?Cl inter-actions of 3.475?(3)?Å and van der Waals inter-actions.

| S-EPMC3344620 | biostudies-literature

2-{(E)-4-[4-(Trifluoro-meth-yl)phen-oxy]but-2-en-yloxy}phenyl N-methyl-carbamate.

Project description:In the title compound, C19H18F3NO4, which was designed and synthesized as a dual-site inhibitor of insect AChE (acetyl-cholinesterase), the dihedral angle between the methyl-carbamate group and the benzene ring is 72.47 (6)°. In the crystal, inversion dimers are linked by pairs of N-H⋯O hydrogen bonds.

| S-EPMC3588498 | biostudies-literature

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