Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Rac-{[2-(Diphenyl-thio-phosphan-yl)ferrocen-yl]meth-yl}trimethyl-ammonium iodide chloro-form monosolvate.

ABSTRACT: The title compound, [Fe(C5H5)(C21H24NPS)]I·CHCl3, is built up from a (ferrocenylmeth-yl)trimethyl-ammonium cation, a iodine anion and a chloro-form solvent mol-ecule, all residing in general positions. The N atom of the ammonium group is displaced by 1.182?(2)?Å from the plane of the substituted cyclo-penta-dienyl (Cp) ring towards the Fe atom, whereas the C atom attached to the same Cp ring is slightly below this plane by -0.128?(2)?Å. These deviations might result from weak agostic interactions between the two H atoms of the CH2 group and the Fe atom.

SUBMITTER: Karpous A

PROVIDER: S-EPMC3588745 | biostudies-literature | 2012 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

rac-{[2-(Diphenyl-thio-phosphan-yl)ferrocen-yl]meth-yl}trimethyl-ammonium iodide chloro-form monosolvate.

Karpous Andrei A Voitenko Zoia Z Daran Jean-Claude JC Manoury Eric E

Acta crystallographica. Section E, Structure reports online 20121117 Pt 12

The title compound, [Fe(C5H5)(C21H24NPS)]I·CHCl3, is built up from a (ferrocenylmeth-yl)trimethyl-ammonium cation, a iodine anion and a chloro-form solvent mol-ecule, all residing in general positions. The N atom of the ammonium group is displaced by 1.182 (2) Å from the plane of the substituted cyclo-penta-dienyl (Cp) ring towards the Fe atom, whereas the C atom attached to the same Cp ring is slightly below this plane by -0.128 (2) Å. These deviations might result from weak agostic interaction ...[more]

PMID: 23468710

Similar Datasets

rac-{[2-(Diphenyl-thio-phosphor-yl)ferrocen-yl]meth-yl}dimethyl-ammonium diphenyl-dithio-phosphinate.

Project description:2-(Diphenyl-thio-phosphino)dimethyl-amino-methyl-ferrocene is a key inter-mediate in the synthesis of various ferrocenyl ligands. During one such synthesis, the title compound, [Fe(C(5)H(5))(C(20)H(22)NPS)](C(12)H(10)PS(2)), was isolated as a by-product. It is built up by association of (2-(diphenyl-phosphino)ferrocen-yl)meth-yl)dimethyl-ammonium cations and diphenyl-phosphino dithio-ate anions. N-H?S, C-H?S and C-H?? inter-actions link the anions and cations. Each anion-cation pair is linked two by two through C-H?? inter-actions, forming pseudo dimers.

| S-EPMC3343798 | biostudies-literature

Crystal structure of bis-{(<i>S</i>)-1-[2-(di-phenyl-phosphan-yl)ferrocen-yl]-(<i>R</i>)-eth-yl}ammonium bromide di-chloro-methane monosolvate.

Project description:During the synthesis of an FeBr2 complex with the PNP ligand (R,R,SFc,SFc)-[Fe2(C5H5)2(C38H35NP2)] (1), single crystals of the di-chloro-methane monosolvate of the Br- salt of the protonated ligand 1H+ were obtained serendipitously, i.e. [Fe2(C5H5)2(C38H36NP2)]Br·CH2Cl2. The crystal structure of 1H·Br·CH2Cl2 was determined by single-crystal X-ray diffraction. The mean bond lengths in the ferrocene units are Fe-C = 2.049 (3) Å and C-C = 1.422 (4) Å within the cyclo-penta-dienyl rings. The mean C-N bond length is 1.523 (4) Å. The inter-planar angle between the two connected cyclo-penta-dienyl rings is 49.2 (2)°. One ferrocene moiety adopts a staggered conformation, whereas the other is between staggered and eclipsed. The Br- ions and the CH2Cl2 mol-ecules are located in channels extending along <100>. One ammonium H atom forms a hydrogen bond with the Br- ion [H⋯Br = 2.32 (4) Å and C-H⋯Br = 172 (3)°]. The second ammonium H atom is not involved in hydrogen bonding.

| S-EPMC5290554 | biostudies-literature

rac-cis,cis-Dicarbonyl-dichlorido{1-[2-(diphenyl-phosphan-yl)benz-yl]-3-mesityl-imidazol-2-yl-idene}ruthenium(II) dichloro-methane monosolvate.

Project description:The Ru(II) atom in the title compound, [RuCl(2)(C(31)H(29)N(2)P)(CO)(2)]·CH(2)Cl(2), exhibits a distorted octahedral coordination environment. The bond angles of the cis substituents at the Ru(II) atom range from 82.72 (9) to 97.20 (3)°. This mol-ecule is of inter-est in the field of catalytic transfer hydrogenation.

| S-EPMC3414164 | biostudies-literature

rac-2,2'-Bis(diphenyl-phosphan-yl)-1,1'-binaphth-yl: a racemic diphosphine ligand.

Project description:The asymmetric unit of the title compound, C(44)H(32)P(2), conventionally abbreviated BINAP, is one half of the complete chiral BINAP mol-ecule, which adopts a C2 crystallographic point-group symmetry with a twofold axis splitting the mol-ecule in two identical halves; a center of symmetry between mol-ecules further determines the racemic pairs. There are no obvious supra-molecular inter-actions between adjacent BINAP mol-ecules.

| S-EPMC3393302 | biostudies-literature

Ferrocen-yl(meth-yl)diphenyl-silane.

Project description:In the title mol-ecule, [Fe(C(5)H(5))(C(18)H(17)Si)], the distances of the Fe atom from the centroids of the unsubstituted and substituted cyclo-penta-dienyl (Cp) rings are 1.651?(1) and 1.646?(1)?Å, respectively. The dihedral angle between the two Cp rings is 3.20?(17)°. The crystal packing is mainly stabilized by van der Waals forces.

| S-EPMC3089205 | 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

[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

rac-Dichlorido(1-{(diphenyl-phosphan-yl)[2-(diphenyl-phosphan-yl)phen-yl]meth-yl}ferrocene-?P,P')palladium(II) dimethyl sulfoxide disolvate.

Project description:The racemic title compound, [FePdCl(2)(C(5)H(5))(C(36)H(29)P(2))]·2(CH(3))(2)SO, features a Pd-chelating 1,3-diphosphine, which is substituted at a P-bearing asymmetric C atom by a ferrocenyl group. The Pd(II) atom is in a distorted quadratic coordination by two P and two Cl atoms with bond lengths of 2.2414?(3) and 2.2438?(3)?Å for Pd-P, and 2.3452?(3) and 2.3565?(3)?Å for Pd-Cl. The conformation of the Pd complex is controlled by an intra-molecular slipped ?-? stacking inter-action between a phenyl and a cyclo-penta-dienyl ring with corresponding C?C distances starting at 3.300?(2)?Å and the distance between ring centroids being 3.674?(2)?Å. The crystal structure is stabilized by C-H?Cl and C-H?O hydrogen bonds. The (CH(3))(2)SO solvent mol-ecules are arranged in layers parallel to (101) and are linked in pairs by C-H?O inter-actions. One (CH(3))(2)SO mol-ecule is orientationally disordered [occupancy ratio 0.8766?(17):0.1234?(17)] with sulfur in two positions at both sides of its C(2)O triangle.

| S-EPMC3201499 | biostudies-other

(Di-tert-butyl-phosphan-yl)bis-(diphenyl-phosphan-yl)phosphane.

Project description:The title phosphane, C(32)H(38)P(4) or (Ph(2)P)(2)P(P(t)Bu(2)), has a P atom that is linked to another three P atoms in a pyramidal configuration; the P-P distances in the range 2.2231 (7)-2.2446 (7) Å indicate that the P-P bonds are single bonds.

| S-EPMC2961699 | biostudies-literature

[2,2-Bis(diphenyl-phosphan-yl)propane-?P,P']tetra-carbonyl-chromium(0) dichloro-methane monosolvate.

Project description:The title compound, [Cr(C(27)H(26)P(2))(CO)(4)]·CH(2)Cl(2), was obtained by the reaction of Ph(2)PCMe(2)PPh(2) with Cr(CO)(6) in refluxing toluene by substitution of two carbonyl ligands. The CrC(4)P(2) coordination geometry at the Cr atom is distorted octa-hedral, with a P-Cr-P bite angle of 70.27?(2)°.

| S-EPMC3009317 | 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