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?-Oxido-bis-[chlorido(4,4'-di-tert-butyl-2,2'-bipyridine-?N,N')dioxido-molybdenum(VI)] 0.2-hydrate.

ABSTRACT: The title hydrate, [Mo(2)Cl(2)O(5)(C(18)H(24)N(2))(2)]·0.2H(2)O, has been isolated as the oxidation product of [Mo(?(3)-C(3)H(5))Cl(CO)(2)(di-t-Bu-bipy)] (where di-t-Bu-bipy is 4,4'-di-tert-butyl-2,2'-bipyridine). A ?-oxide ligand bridges two similar MoCl(di-t-Bu-bipy)O(2) units, having the terminal oxide ligands mutually cis, and the chloride and ?-oxide trans to each other. In the binuclear complex, the coordination geometries of the metal atoms can be described as highly distorted octa-hedra. Individual complexes co-crystallize with a partially occupied water mol-ecule of crystallization (occupancy factor = 0.20; H atoms not located), with the crystal packing being mediated by the need to effectively fill the available space. A number of weak C-H?O and C-H?Cl inter-actions are present.

SUBMITTER: Gomes AC

PROVIDER: S-EPMC3238648 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

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μ-Oxido-bis-[chlorido(4,4'-di-tert-butyl-2,2'-bipyridine-κN,N')dioxido-molybdenum(VI)] 0.2-hydrate.

Gomes Ana C AC Fernandes José A JA Gamelas Carla A CA Gonçalves Isabel S IS Almeida Paz Filipe A FA

Acta crystallographica. Section E, Structure reports online 20111112 Pt 12

The title hydrate, [Mo(2)Cl(2)O(5)(C(18)H(24)N(2))(2)]·0.2H(2)O, has been isolated as the oxidation product of [Mo(η(3)-C(3)H(5))Cl(CO)(2)(di-t-Bu-bipy)] (where di-t-Bu-bipy is 4,4'-di-tert-butyl-2,2'-bipyridine). A μ-oxide ligand bridges two similar MoCl(di-t-Bu-bipy)O(2) units, having the terminal oxide ligands mutually cis, and the chloride and μ-oxide trans to each other. In the binuclear complex, the coordination geometries of the metal atoms can be described as highly distorted octa-hedra. ...[more]

PMID: 22199539

Similar Datasets

Tris(4,4'-di-tert-butyl-2,2'-bipyridine-?N,N')molybdenum(II) ?(6)-oxido-dodeca-?(2)-oxido-hexa-oxidohexa-molybdate(VI) acetonitrile tetra-solvate.

Project description:The asymmetric unit of the title compound, [Mo(C(18)H(24)N(2))(3)][Mo(6)O(19)]·4CH(3)CN, comprises an [Mo(di-t-Bu-bipy)(3)](2+) cation (di-t-Bu-bipy is 4,4'-di-tert-butyl-2,2'-bipyridine), two halves of Lindqvist-type [Mo(6)O(19)](2-) anions (with each anion completed by the application of a center of inversion) and four acetonitrile solvent mol-ecules. The geometry around the metal atom of the cation resembles a distorted octa-hedron, with each of the three di-t-Bu-bipy ligands being almost planar [deviation from planarity < 6.3?(2)°]. Supra-molecular inter-actions, namely Mo=O??, C N??, C-H?O and C-H?N, along with electrostatic forces, mediate the crystal packing. Two of the tert-butyl groups are affected by rotational disorder which was modeled over two distinct positions with major site occupancies of 0.707?(9) and 0.769?(8).

| S-EPMC3238728 | biostudies-literature

4,4'-Di-tert-butyl-2,2'-bipyridine.

Project description:In the title compound, C(18)H(24)N(2), the mol-ecular unit adopts a trans conformation around the central C-C bond [N-C-C-N torsion angle of 179.2?(3)°], with the two aromatic rings almost coplanar [dihedral angle of only 0.70?(4)°]. The crystal packing is driven by co-operative contacts involving weak C-H?N and C-H?? inter-actions, and also the need to fill effectively the available space.

| S-EPMC2977408 | biostudies-literature

Substituted 2,2'-bipyridines by nickel-catalysis: 4,4'-di-tert-butyl-2,2'-bipyridine.

Project description:A simple, ligand-free synthesis of the important bipyridyl ligand 4,4'-di-tert-butyl-2,2'-bipyridine is presented. 5,5'-bis(trifluoromethyl)-2,2'-bipyridine is also synthesized by the same protocol. The syntheses efficiently couple the parent 2-chlorpyridies by a nickel-catalyzed dimerization with manganese powder as the terminal reductant.

| S-EPMC4160121 | biostudies-literature

(4,4'-Di-tert-butyl-2,2'-bipyridine-?N,N')bis-(nitrato-?O,O')copper(II).

Project description:In the crystal of the title compound, [Cu(NO(3))(2)(C(18)H(24)N(2))], the Cu(II) ion is coordinated by two N atoms of the bipyridine ligand and four O atoms from the two nitrate anions in a distorted octahedral fashion. The dihedral angle between the planes of the two pyridine rings is 11.52?(10)°. In the crystal structure, weak C-H?O inter-actions may help to establish the packing.

| S-EPMC2968272 | biostudies-literature

(2,2'-Bipyridine-?N,N')[2-tert-butyl-anilinato(2-)]dichloridooxido-molybdenum(VI) dichloro-methane hemisolvate.

Project description:The Mo(VI) atom in the title structure, [Mo(C(10)H(13)N)Cl(2)O(C(10)H(8)N(2))]·0.5CH(2)Cl(2), has a distorted octa-hedral coord-ination sphere with cis-orientated oxide and imide ligands, trans-chloride ligands and the 2,2'-bipyridine (bipy) ligand N atoms lying trans to the oxide and imide ligands. An imide-ligand tert-butyl-methyl-group H atom makes a close approach with the oxide ligand (distance = 2.53?Å) and the imide-ligand N atom (distance = 2.41?Å). Another imide-ligand tert-butyl-methyl-group H atom makes a close approach to a chloride ligand (distance = 2.82?Å). One bipy-ligand ?-H atom makes a close approach to the oxide ligand (distance = 2.4?Å) and the other ?-H atom makes a close approach to the imide-ligand phenyl-ring ortho-H atom (distance = 2.52?Å). These close approaches suggest the presence of weak intra-molecular hydrogen bonds. The solvent molecule has been modelled under consideration of half-occupancy.

| S-EPMC3011586 | biostudies-literature

Aqua-[N'-(3-eth-oxy-2-oxidobenzyl-?O)furan-1-carbohydrazidato-?N',O]dioxido-molybdenum(VI)-4,4'-bipyridine (2/1).

Project description:The Mo(VI) atom in the title co-crystal, [Mo(C(14)H(12)N(2)O(4))O(2)(H(2)O)]·0.5C(10)H(8)N(2), is O,N,O'-chelated by the deprotonated Schiff base and coordinated by the oxide and water O atoms in an octa-hedral geometry. The five-membered chelate ring is planar (r.m.s. deviation = 0.019?Å), but the six-membered chelate ring is puckered (r.m.s. deviation = 0.108?Å). Two mononuclear mol-ecules are linked across a center of inversion by an O-H(water)?O hydrogen bond; adjacent dinuclear units are linked by an water-4,4'-bipyridine O-H?N hydrogen bond, generating a linear chain structure. The 4,4'-bipyridine mol-ecule is disordered over two positions in a 1:1 ratio.

| S-EPMC3120460 | biostudies-literature

Chlorido(4,4',4''-tri-tert-butyl-2,2':6',2''-terpyridine)-platinum(II) tetra-fluorido-borate.

Project description:In the title compound, [PtCl(C(27)H(35)N(3))]BF(4), the Pt(II) atom is in a pseudo-square-planar coordination, which is typical of Pt-terpyridine complexes. The Pt-Cl bond distance is 2.2998?(7)?Å. The Pt-N distance of the N atom on the central pyridine is 1.931?(2)?Å, while the peripheral N atoms have Pt-N distances of 2.018?(2) and 2.022?(2)?Å. The cations pack as dimers in a head-to-tail orientation with an inter-molecular Pt?Pt distance of 3.5214?(2)?Å and Pt?N distances of 3.527?(2), 3.873?(2) and 4.532?(2)?Å. In the crystal, cations and anions are linked by weak C-H?F hydrogen-bonding inter-actions.

| S-EPMC3011620 | biostudies-literature

4,4',6,6'-Tetra-tert-butyl-2,2'-[1,3-diazinane-1,3-diylbis(methyl-ene)]diphenol 0.25-hydrate.

Project description:The title compound, C(34)H(54)N(2)O(2)·0.25H(2)O, the organic mol-ecule, a potential tetra-dentate ligand with a bulky phenolic donor, has overall mirror symmetry. A partially occupied water mol-ecule of solvation is present in the lattice. The six-membered 1,3-diazinane ring displays a chair conformation. An intra-molecular O-H⋯N hydrogen bond ocurs. In the crystal, mol-ecules are linked by O-H⋯O inter-actions.

| S-EPMC3393934 | biostudies-literature

Bis(4,4'-bipyridinium) dodeca-tungsto-silicate 4,4'-bipyridine hexa-hydrate.

Project description:The title compound, (C(10)H(10)N(2))(2)[SiW(12)O(40)]·C(10)H(8)N(2)·6H(2)O or (4,4'-bipyH(2))(2)[SiW(12)O(40)].(4,4'-bipy)·6H(2)O (4,4'-bipy is 4,4'-bipyridine), was prepared under hydro-thermal conditions. The asymmetric unit contains a discrete Keggin-type [SiW(12)O(40)](4-) anion (located on a twofold axis), one 4,4'-bipy (located on a twofold axis), two (4,4'-bipyH(2))(2+) cations and six uncoordinated water mol-ecules. The polyoxoanion is constructed from a central SiO(4) tetra-hedron which shares its O atoms with four trinuclear W(3)O(13) groups, each of which is made up of three edge-sharing WO(6) octa-hedra. The water mol-ecules and [SiW(12)O(40)](4-) anions are linked through hydrogen bonds.

| S-EPMC2959252 | biostudies-literature

Poly[(μ(2)-4,4'-bipyridine)bis-(μ(4)-5-tert-butyl-isophthalato)bis-(μ(3)-5-tert-butyl-isophthalato)di-μ(3)-hydroxido-penta-zinc(II)].

Project description:The asymmetric unit of the title compound, [Zn(5)(C(12)H(12)O(4))(4)(OH)(2)(C(10)H(8)N(2))](n), consists of three Zn(II) ions (one of which is located on a twofold rotation axis), two 5-tert-butyl-isophthalate ligands, one 4,4'-bipyridine ligand and one hydroxide group. The five Zn(II) ions form a penta-nuclear zinc cluster, which is further bridged by ten organic ligands, forming two-dimensional sheets. The central zinc ion of the cluster has site symmetry 2 and is octahedrally coordinated in a N(2)O(4) donor set, whereas the other four zinc atoms are tetrahedrally coordinated by four O atoms. The coordination modes for the 5-tert-butyl-isophthalates are bis-(bidentate) or bidentate-monodentate. Hydrogen bonds are formed between adjacent sheets through the hydroxide groups and the O atoms of the monodentate carboxyl-ate groups. The two tert-butyl groups are disordered over two positions with ratios of 0.64 (2):0.36 (2) and 0.85 (3):0.15 (3).

| S-EPMC2969937 | biostudies-literature

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