Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(Cyanido-?C)(2,2-di-phenyl-acetamido-?(2) N,O)bis-(?(5)-penta-methyl-cyclo-penta-dien-yl)zirconium(IV).

ABSTRACT: In the title compound, [Zr(C10H15)2(C14H12NO)(CN)], the Zr(IV) atom is coordinated by two penta-methyl-cyclo-penta-dienyl ligands, the amidate ligand via the N and O atoms, and an additional C N ligand. The four-membered metallacycle is nearly planar (r.m.s. deviation = 0.008?Å). In the crystal, the mol-ecules are connected into centrosymmetric dimers via pairs of N-H?N hydrogen bonds.

SUBMITTER: Becker L

PROVIDER: S-EPMC3998262 | biostudies-literature | 2014 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(Cyanido-κC)(2,2-di-phenyl-acetamido-κ(2) N,O)bis-(η(5)-penta-methyl-cyclo-penta-dien-yl)zirconium(IV).

Becker Lisanne L Spannenberg Anke A Arndt Perdita P Rosenthal Uwe U

Acta crystallographica. Section E, Structure reports online 20140122 Pt 2

In the title compound, [Zr(C10H15)2(C14H12NO)(CN)], the Zr(IV) atom is coordinated by two penta-methyl-cyclo-penta-dienyl ligands, the amidate ligand via the N and O atoms, and an additional C N ligand. The four-membered metallacycle is nearly planar (r.m.s. deviation = 0.008 Å). In the crystal, the mol-ecules are connected into centrosymmetric dimers via pairs of N-H⋯N hydrogen bonds. ...[more]

PMID: 24764823

Similar Datasets

Dibromido[bis-(η-cyclo-penta-dien-yl)dimethyl-silane]zirconium(IV).

Project description:The title mol-ecule, [ZrBr(2)(C(12)H(14)Si)], possesses a crystallographically imposed twofold rotational symmetry with the rotation axis passing through the Zr and Si atoms. The Zr(IV) centre is in a distorted tetra-hedral environment defined by two Cp rings of chelating organic ligands and two Br anions. Two five-membered rings form a dihedral angle of 59.7 (2)°. Unequal Zr-C bonds [2.471 (3)-2.556 (3) Å] in the mol-ecule indicate that the inter-action of the central metal with the [(C(5)H(4))(2)SiMe(2)](2-) ligand contains noticeable η(3)-allyl and η(2)-olefin contributions.

| S-EPMC2967924 | biostudies-literature

(tert-Butyl-imido)bis-(η-cyclo-penta-dien-yl)pyridine-zirconium(IV).

Project description:The title compound, [Zr(C(5)H(5))(2)(C(4)H(9)N)(C(5)H(5)N)], was obtained from the reaction of (C(5)H(5))(2)Zr(py)(η(2)-Me(3)SiC(2)SiMe(3)) (py is pyridine) and (t)BuN=C=N(t)Bu alongside the formation of (C(5)H(5))(2)Zr(CN(t)Bu)(η(2)-Me(3)SiC(2)SiMe(3)). The zirconium atom is coordinated in a distorted tetra-hedral geometry by two cyclo-penta-dienyl ligands, a pyridine ligand, and a tert-butyl-imido ligand via a Zr=N double bond. The tert-butyl group is disordered over two positions in a 0.634 (5):0.366 (5) ratio.

| S-EPMC3007953 | biostudies-literature

Bis(η-cyclo-penta-dien-yl)bis-(2,4,6-tri-methyl-phenyl-tellurolato)zirconium(IV).

Project description:The structure of the title compound, [Zr(C(5)H(5))(2)(C(9)H(11)Te)(2)], consists of a zirconium(IV) centre bonded to two η(5)-coord-inated cyclo-penta-dienyl groups and two mesityltellurolate ligands; the discrete mol-ecule has crystallographic twofold rotation symmetry. The structural parameters compared with those in [(η(5)-Me(5)Cp)(2)Zr(TePh)(2)] [Howard, Trnka & Parkin (1995 ▶). Inorg. Chem.34, 5900-5909] show that the greater steric demands of the bulky mesityl substituents are accommodated by widening Te-Zr-Te (∼8°) and by more acute Zr-Te-C (∼5°) angles, although the Zr-Te distances are essentially the same. The crystal studied exhibited some inversion twinning.

| S-EPMC2961163 | biostudies-literature

Bis(η-penta-methyl-cyclo-penta-dien-yl)cobalt(II).

Project description:The crystal structure of the title compound, deca-methyl-cobaltocene, [Co(C(10)H(15))(2)], has been determined. High-quality single crystals were grown from a cold saturated hexa-methyl-disiloxane solution. The structure is related to the manganese and iron analogs. The molecule has D(5d) symmetry, with the Co atom in a crystallographic 2/m position. The cobalt-centroid(C(5)) distance is 1.71Å and the centroid(C(5))-Co-centroid(C(5)) angle is 180°, by symmetry.

| S-EPMC2969061 | biostudies-literature

(η-Penta-methyl-cyclo-penta-dien-yl)(η-toluene)-ruthenium(II) hexa-fluorido-phosphate.

Project description:In the title complex, [Ru(C(7)H(8))(C(10)H(15))]PF(6), the cation lies on a mirror plane and the anion lies on an inversion center. The distance between the Ru atom and the centroid of the benzene ring is 1.706 (5) Å and the distance between the Ru atom and the cyclo-penta-dienyl ring is 1.811 (5) Å. The crystal structure is stabilized by weak C-H⋯F hydrogen bonds. The H atoms of the methyl groups which lie on the mirror plane are disordered over two sites with equal occupancies.

| S-EPMC2983397 | biostudies-literature

(η-Penta-methyl-cyclo-penta-dien-yl)(η-p-toluene-sulfonamide)ruthenium(II) tetra-phenyl-borate.

Project description:The crystal structure of the title compound, [Ru(C(10)H(15))(C(7)H(9)NO(2)S)]C(24)H(20)B, has been determined as part of our investigation into the structural and biological properties of organometallic Ru(II)-arene-Cp* complex salts of the type [R-PhRuCp*](+)·X(-) (where Cp* is penta-methyl-cyclo-penta-diene). Tethering the RuCp* group to the benzene ring of p-toluene-sulfonamide results in only minor changes to the mol-ecular geometry of the sulfonamide, but, together with crystallization as the [BPh(4)](-) salt, effectively blocks involvement of the sulfonamide group in N-H⋯O hydrogen-bonding networks.

| S-EPMC2960125 | biostudies-literature

(μ-Di-<i>tert</i>-butyl-silanediolato)bis-[bis-(η<sup>5</sup>-cyclo-penta-dien-yl)methyl-zirconium].

Project description:The reaction of t-Bu2Si(OH)2 with two equivalents of Cp2Zr(CH3)2 produces the title t-Bu2SiO2-siloxide bridged dimer, [Zr2(CH3)2(C5H5)4(C8H18O2Si)] or [Cp2Zr(CH3)]2[μ-t-Bu2SiO2] (1), where one methyl group is retained per zirconium atom. The same product is obtained at room temperature even when equimolar ratios of the silanediol and Cp2Zr(CH3)2 are used. Attempts to thermally eliminate methane and produce a bridging methyl-ene complex resulted in decomposition. The crystal structure of 1 displays typical Zr-CH3 and Zr-O distances but the Si-O distance [1.628 (2) Å] and O-Si-O angle [110.86 (15)°] are among the largest observed in this family of compounds suggesting steric crowding between the t-Bu substituents of the silicon atom and the cyclo-penta-dienyl groups. The silicon atom lies on a crystallographic twofold axis and both Cp rings are disordered over two orientations of equal occupancy.

| S-EPMC6895932 | biostudies-literature

Bis(η(5)-penta-methyl-cyclo-penta-dien-yl)aluminium tetra-bromido-aluminate.

Project description:The title compound, [Al(C10H15)2][AlBr4], was formed during the reduction of a mixture of Cp*AlBr2 and AlBr3. The Al(III) atoms of the two crystallographically independent cations each lie on an inversion center, and the [AlBr4](-) anions are on general positions. At 123 K, the structure exhibits disorder in two of the Br atoms of the [AlBr4](-) ion, with a ratio occupancy of 0.733 (6): 0.267 (3). In the crystal, there is possible weak hydrogen bonding between some methyl groups and Br atoms. The interactions link the moieties in a three-dimensional array.

| S-EPMC3998496 | biostudies-literature

(2,2-Bipyrid-yl)bis-(?-penta-methyl-cyclo-penta-dien-yl)strontium(II).

Project description:In the title compound, [Sr(C(10)H(15))(2)(C(10)H(8)N(2))], the Sr-N distances are 2.624?(3) and 2.676?(3)?Å, the Sr?Cp ring centroid distances are 2.571 and 2.561?Å and the N-C-C-N torsion angle in the bipyridine ligand is -2.2?(4)°. Inter-estingly, the bipyridine ligand is tilted. The angle between the plane defined by the Sr atom and the two bipyridyl N atoms and the plane defined by the 12 atoms of the bipyridine ligand is 10.7?(1)°.

| S-EPMC2960620 | biostudies-literature

(η-Cyclo-penta-dien-yl){[3-(2,2-dicyano-ethen-yl)bicyclo-[2.2.1]hepta-2,5-dien-2-yl]ethyn-yl}(triphenyl-phosphine)nickel(II).

Project description:The title compound, [Ni(C(5)H(5))(C(13)H(7)N(2))(C(18)H(15)P)] or (η(5)-C(5)H(5))(PPh(3))Ni-C C-C(7)H(6)-C(H)=C(CN)(2), contains an unusual disubstituted norbornadienyl (NBD) ligand containing ethynyl (-C C-) and dicyano-vinyl [-C(H)=C(CN)(2)] groups. Disorder is present in the NBD group with site occupancies of 0.636 (10) and 0.364 (10) for two distinct orientations. There are no strong hydrogen bonds and the primary inter-actions are weak C-H⋯π(arene) inter-actions.

| S-EPMC2960392 | 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