Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Di-?-sulfido-bis-{[rac-1,2-bis-(?(5)-4,5,6,7-tetra-hydro-inden-1-yl)ethane]-zirconium(IV)} toluene monosolvate.

ABSTRACT: The title dimeric zirconium complex, [Zr(2)(C(20)H(24))(2)S(2)]·C(7)H(8), was obtained from the reaction of (ebthi)Zr(?(2)-Me(3)Si-C(2)-SiMe(3)) [ebthi is rac-1,2-bis-(?(5)-4,5,6,7-tetra-hydro-inden-1-yl)ethane] and S=C=N-ada (ada = adamantan-1-yl) along with the formation of the isonitrile C N-ada. Each Zr(IV) atom is coordinated by the sterically hindered ebthi ligand and two ?-sulfide ligands in a strongly distorted tetra-hedral geometry. The [ZrS](2) unit is almost planar (mean deviation from the best plane of the four atoms = 0.025?Å). A -CH(2)-CH(2)- group in one ebthi ligand was disordered over two sites, with refined occupancy factors of 0.551?(6) and 0.449?(6). The asymmetric unit also contains a toluene solvent mol-ecule.

SUBMITTER: Haehnel M

PROVIDER: S-EPMC3515160 | biostudies-other | 2012 Nov

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Di-μ-sulfido-bis-{[rac-1,2-bis-(η(5)-4,5,6,7-tetra-hydro-inden-1-yl)ethane]-zirconium(IV)} toluene monosolvate.

Haehnel Martin M Altenburger Kai K Spannenberg Anke A Arndt Perdita P Rosenthal Uwe U

Acta crystallographica. Section E, Structure reports online 20121031 Pt 11

The title dimeric zirconium complex, [Zr(2)(C(20)H(24))(2)S(2)]·C(7)H(8), was obtained from the reaction of (ebthi)Zr(η(2)-Me(3)Si-C(2)-SiMe(3)) [ebthi is rac-1,2-bis-(η(5)-4,5,6,7-tetra-hydro-inden-1-yl)ethane] and S=C=N-ada (ada = adamantan-1-yl) along with the formation of the isonitrile C N-ada. Each Zr(IV) atom is coordinated by the sterically hindered ebthi ligand and two μ-sulfide ligands in a strongly distorted tetra-hedral geometry. The [ZrS](2) unit is almost planar (mean deviation fro ...[more]

PMID: 23284387

Similar Datasets

Azido-[1,2-bis-(diphenyl-phosphan-yl)ethane-?P,P'](?-inden-yl)ruthenium(II).

Project description:Facile ligand substitution is observed when the ruthenium chloride complex [Ru(?(5)-C(9)H(7))Cl(dppe)] (dppe is diphenylphosphanyl ethane) is treated with NaN(3) in refluxing ethanol, yielding the title compound, [Ru(?(5)-C(9)H(7))(N(3))(dppe)] or [Ru(C(9)H(7))(N(3))(C(26)H(24)P(2))]. The Ru(II) atom has a typical piano-stool coordination. The Ru-P bond lengths are 2.284?(2) and 2.235?(2)?Å. NMR and MS analyses are in agreement with the structure of the title compound.

| S-EPMC3050413 | biostudies-literature

[N,N'-Bis(2,6-diisopropyl-phen-yl)methanimidamidato][?-1,4-bis-(tri-methyl-sil-yl)cyclo-octa-tetra-enyl](tetra-hydro-furan)-samarium(III) toluene monosolvate.

Project description:The title compound, [Sm(C(25)H(35)N(2))(C(14)H(24)Si(2))(C(4)H(8)O)]·C(7)H(8), was prepared by treatment of anhydrous samarium trichloride with a 1:1 mixture of in situ-prepared Li(DippForm) [DippFormH = N,N'-bis-(2,6-diisopropyl-phen-yl)methanimidamide] and Li(2)(COT'') [COT'' = 1,4-bis-(trimethyl-sil-yl)cyclo-octa-tetra-enyl] in tetra-hydro-furan (THF). Despite the presence of two very bulky ligands (COT'' and DippForm), the mol-ecule still contains one coordinated THF ligand. The overall coordination geometry around the Sm(III) atom resembles a three-legged piano-stool with the COT'' ligand being ?(8)-coordinated and the DippForm(-) anion acting as an N,N'-chelating ligand [Sm-N = 2.5555?(15) and 2.4699?(15)?Å]. The asymmetric unit also contains a disordered mol-ecule of toluene, the refined ratio of the two components being 0.80?(4):0.20?(4).

| S-EPMC3011607 | biostudies-literature

rac-5-Acetyl-6-hy-droxy-3,6-dimethyl-4-phenyl-4,5,6,7-tetra-hydro-2H-indazole.

Project description:The title compound, C(17)H(20)N(2)O(2), is chiral but crystallizes in a centrosymmetric space group as a racemate, the relative configuration at the stereogenic centres being 2S*,3R*,4S*. The cyclo-hexane ring adopts a half-chair conformation while the pyrazole ring has an envelope conformation. The crystal packing displays inter-molecular O-H?N and N-H?O hydrogen bonding.

| S-EPMC3089358 | biostudies-literature

Bis[μ(2)-bis-(diphenyl-phosphino)methane]bis-(μ(2)-ethane-1,2-dithiol-ato)-μ(4)-sulfido-μ(2)-sulfido-disulfidodimolybdenum(V)disilver(I) dimethyl-formamide tris-olvate.

Project description:Treatment of [Et(4)N](2)[(edt)(2)Mo(2)S(2)(μ-S)(2)] (edt = ethane-dithio-l-ate) with two equivalents of Ag(CH(3)CN)(4)ClO(4) in the presence of bis-(diphenyl-phosphino)methane (dppm) ligand gives rise to the title tetra-nuclear cluster, [Ag(2)Mo(2)(C(2)H(4)S(2))(2)S(4)(C(25)H(22)P(2))(2)]·3C(3)H(7)NO. The complex mol-ecule and one of the dimethyl-formamide (DMF) solvent mol-ecules occupy special positions on a mirror plane. The mol-ecular structure of the complex may be visualized as being built of [Mo(2)S(2)(μ-S)(2)(edt)(2)](2-) dianions and [Ag(2)(dppm)(2)](2+) dications connected by two Ag-μ-S(edt) and two Ag-μ(4)-S bonds.

| S-EPMC2971914 | biostudies-literature

catena-Poly[[[bis-(methanol-?O)bis-(seleno-cyanato-?N)manganese(II)]-?-1,2-bis-(pyridin-4-yl)ethane-?(2) N:N'] 1,2-bis-(pyridin-4-yl)ethane monosolvate].

Project description:The reaction of manganese seleno-cyanate with 1,2-bis-(pyridin-4-yl)ethane (bpa) leads to the title compound, {[Mn(NCSe)2(C12H12N2)(CH3OH)2]·C12H12N2} n . The Mn(II) cation is coordinated by two N-bonded seleno-cyanate anions, two bpa ligands and two O-bonded methanol mol-ecules, within a slightly distorted octa-hedral geometry. The Mn(II) cations and the non-coordinating N-donor ligands are located on centers of inversion while the coordinating N-donor co-ligands are located on a twofold rotation axis. In the crystal, the Mn(II) cations are linked into chains along the c-axis direction by the bpa ligands. The chains are further connected via a non-coordinating bpa ligand into layers parallel to (3-10) via O-H?N hydrogen-bonding inter-actions.

| S-EPMC3629498 | biostudies-literature

Crystal structures of di-?-bromido-bis{di-bromido-[?5-2-(di-methyl-amino)-inden-yl]zirconium(IV)} and di-bromido-bis-[?5-2-(di-methyl-amino)-inden-yl]zirconium(IV).

Project description:In the title compounds, [Zr2Br6(C11H12N)2], (I) and [ZrBr2(C11H12N)2], (II), the positions of the ?5-binding 2-di-methyl-amino-indenyl units are fixed by intra-molecular C-H?Br inter-actions involving aromatic or di-methyl-amino H atoms. The binuclear mol-ecule of (I) is located on a general position, while the mononuclear mol-ecule of (II) is situated on a twofold rotation axis. Both ZrIV atoms in (I) are ligated by one cyclo-penta-dienyl (CP) ring and four Br ligands (two bridging, two terminal), while in (II) the ZrIV atom is ligated by two CP rings and two terminal Br ligands. The crystal structures of both (I) and (II) comprise of strands of ?-?- and N-?-bonded mol-ecules, which in turn are linked by C-H?Br inter-actions.

| S-EPMC5095842 | biostudies-other

Bis(1,10-phenanthroline-κN,N')(sulfato-O)copper(II) ethane-1,2-diol monosolvate.

Project description:In the title compound, [Cu(SO(4))(C(12)H(8)N(2))(2)]·C(2)H(6)O(2), the Cu(II) ion is five-coordinated in a distorted square-pyramidal manner by four N atoms from two chelating 1,10-phenanthroline (phen) ligands and one O atom from a monodentate sulfate anion. The four N atoms comprise a square and the one O atom the apex of a square pyramid. The two chelating N(2)C(2) groups are oriented at 71.1 (2)°. In the crystal, the components are connected by inter-molecular O-H⋯O hydrogen bonding. The presence of pseudosymmetry in the structure suggests the higher symmetry space group C2/c, but attempts to refine the structure in this space group resulted in an unsatisfactory model.

| S-EPMC3200916 | biostudies-literature

rac-5-Acetyl-6-hy-droxy-3,6-dimethyl-4-phenyl-2H-4,5,6,7-tetra-hydro-indazol-1-ium chloride.

Project description:The structure of the title compound, C(17)H(21)N(2)O(2) (+)·Cl(-), is of inter-est with respect to its biological activity. The title compound comprises an organic cation and a chloride anion in the asymmetric unit. The positive charge is localized in a pyrazole moiety forming a pyrazolium cation. The structure displays inter-molecular O-H?Cl and N-H?Cl hydrogen bonding.

| S-EPMC3006733 | biostudies-literature

[1,2-Bis(diphenyl-phosphan-yl)ethane-?(2)P,P']dichloridopalladium(II) dimethyl sulfoxide monosolvate.

Project description:In the title compound, [PdCl(2)(C(26)H(24)P(2))]·C(2)H(6)OS, the Pd(II) atom adopts a distorted cis-PdCl(2)P(2) square-planar coordination geometry. The five-membered chelate ring adopts an envelope conformation with a methyl-ene C atom in the flap position. The S and C atoms of the dimethyl sulfoxide (DMSO) solvent mol-ecule are disordered over two sets of sites in a 0.8976?(18):0.1024?(18) ratio. The DMSO O atom accepts three C-H?O hydrogen bonds from an adjacent complex mol-ecule.

| S-EPMC3393233 | biostudies-literature

Bis(2,2'-bipyridyl-?N,N')(sulfato-?O,O')cobalt(II) ethane-1,2-diol monosolvate.

Project description:The title compound, [Co(SO(4))(C(10)H(8)N(2))(2)]·C(2)H(6)O(2), has the Co(2+) ion in a distorted octa-hedral CoN(4)O(2) coordination geometry. A twofold rotation axis passes through the Co and S atoms, and through the mid-point of the C-C bond of the ethane-diol mol-ecule. In the crystal, the [CoSO(4)(C(10)H(8)N(2))(2)] and C(2)H(6)O(2) units are held together by a pair of O-H?O hydrogen bonds.

| S-EPMC3050350 | 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