Browse
Submit Data
Databases
API
Help

Dataset Information

14 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-(Ferrocen-1-ylmeth-yl)-3-methyl-imidazol-3-ium hexa-fluorido-phosphate.

ABSTRACT: The crystal structure of the title compound, [Fe(C(5)H(5))(C(10)H(12)N(2))]PF(6), consists of a ferrocene-1-methyl-(3-methyl-imidazolium) cation and a hexa-fluorido-phosphate anion. The ferrocenyl rings are skewed by 6.7?(4)° from the ideal eclipsed conformation. The inter-planar angle between the plane of the substituted cyclo-penta-dienyl ring and that of the imidazole ring is 89.9?(4)°. The crystal packing is stabilized by C-H?F hydrogen bonds.

SUBMITTER: Nyamori VO

PROVIDER: S-EPMC3343779 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-(Ferrocen-1-ylmeth-yl)-3-methyl-imidazol-3-ium hexa-fluorido-phosphate.

Nyamori Vincent O VO Zulu Siphesihle M SM Omondi Bernard B

Acta crystallographica. Section E, Structure reports online 20120303 Pt 4

The crystal structure of the title compound, [Fe(C(5)H(5))(C(10)H(12)N(2))]PF(6), consists of a ferrocene-1-methyl-(3-methyl-imidazolium) cation and a hexa-fluorido-phosphate anion. The ferrocenyl rings are skewed by 6.7 (4)° from the ideal eclipsed conformation. The inter-planar angle between the plane of the substituted cyclo-penta-dienyl ring and that of the imidazole ring is 89.9 (4)°. The crystal packing is stabilized by C-H⋯F hydrogen bonds. ...[more]

PMID: 22589753

Similar Datasets

1-(Ferrocen-1-ylmeth-yl)-3-methyl-imidazol-3-ium iodide.

Project description:The structure of the title compound, [Fe(C5H5)(C10H12N2)]I, consists of a 1-(ferrocen-1-ylmeth-yl)-3-methyl-imidazolium cation which is counter-balanced by an iodide anion. The cyclo-penta-dienyl (Cp) rings of the ferrocene unit have a slightly staggered conformation skewed from an ideal eclipsed conformation by an angle of 3.5?(6)°. The inter-planar angle between the Cp and the imidazole ring is 67.94?(2)°.

| S-EPMC3588731 | biostudies-other

Bis[1-benzyl-3-(4-methyl-phen-yl)imidazol-2-yl-idene]silver(I) hexa-fluorido-phosphate.

Project description:The title silver N-heterocyclic carbene compound, [Ag(C(17)H(16)N(2))(2)]PF(6), crystallizes as a mononuclear salt. The two imidazole rings, which are almost coplanar [maximum deviation from the least squares plane of 0.05?(2)?Å], are linked by the Ag atom with a C-Ag-C angle of 178.60?(9)°. In the crystal, C-H?F hydrogen bonds, weak ?-? inter-actions [centroid-centroid distances = 3.921?(1) and 3.813?(3)?Å] and C-H?? inter-actions lead to a supermolecular structure.

| S-EPMC3212182 | biostudies-literature

3-(3-Cyano-benz-yl)-1-methyl-1H-imidazol-3-ium hexa-fluoro-phosphate.

Project description:In the title compound, C(12)H(12)N(3) (+)·PF(6) (-), the hexa-fluoro-phosphate anion is disordered over two orientations with refined site occupancies of 0.8071?(17) and 0.1929?(17). The dihedral angle between the imidazole and benzene rings in the cation is 71.26?(7)°. In the crystal, the cations and anions are linked by C-H?F and C-H?N hydrogen bonds into a three-dimensional network.

| S-EPMC3275236 | biostudies-literature

1,3-Bis(6-methyl-pyridin-2-yl)-1H-imidazol-3-ium hexa-fluoro-phosphate.

Project description:In the title salt, C17H19N4 (+)·PF6 (-), the two pyridine rings of the cation are inclined to one another by 15.89?(8)°, and inclined to the imidazole ring by 65.05?(10) and 64.07?(10)°. In the crystal, the cations and anions are linked via a series of C-H?N and C-H?F hydrogen bonds, forming two-dimensional networks lying parallel to (001).

| S-EPMC3629601 | biostudies-literature

3-[2-(Anilinocarbon-yl)eth-yl]-1-methyl-1H-imidazolium hexa-fluorido-phosphate.

Project description:The title compound, C(13)H(16)N(3)O(+)·PF(6) (-), which has an imide group in the imidazolium cation, is a new ionic liquid above its melting point. Two neighbouring mol-ecules are connected by a weak non-classical C-H?O hydrogen bond with the formation of centrosymmetric 14-membered dimers.

| S-EPMC2961036 | biostudies-literature

3-[(8-But-oxy-quinolin-2-yl)meth-yl]-1-(pyridin-2-ylmeth-yl)-1H-imidazol-3-ium hexa-fluoridophosphate.

Project description:In the cation of the title compound, C(23)H(25)N(4)O(+)·PF(6) (-), the imidazolium ring make dihedral angles of 87.20?(6) and 79.89?(5)° with the pyridine ring and the quinoline system, respectively. In the crystal, C-H?F and C-H?N hydrogen bonds are observed.

| S-EPMC3344431 | biostudies-literature

(?-Penta-methyl-cyclo-penta-dien-yl)(?-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

3,5-Bis(3-methyl-imidazolium-1-ylmeth-yl)toluene bis-(hexa-fluoro-phosphate).

Project description:The asymmetric unit of the title N-heterocyclic carbene compound, C(17)H(22)N(4) (2+)·2PF(6) (-), consists of one N-heterocyclic carbene dication and two hexa-fluoro-phosphate anions. The two imidazole rings are twisted away from but to the same side of the central toluene ring, making dihedral angles of 76.69?(7) and 78.03?(7)° with the central ring. In the crystal, the components are linked by C-H?F interactions, generating a three-dimensional network.

| S-EPMC2983672 | biostudies-literature

2,4-Bis[(3-butyl-imidazol-3-ium-1-yl)meth-yl]-1,3,5-trimethyl-benzene bis-(hexa-fluoro-phosphate).

Project description:In the title molecular salt, C(25)H(38)N(4) (2+)·2PF(6) (-), one of the butyl groups and four F atoms in the basal plane of one of the PF(6) (-) octa-hedra are disordered over two sets of sites, with occupancy ratios of 0.704?(5):0.296?(5) and 0.71?(3):0.29?(3), respectively. The central benzene ring makes dihedral angles of 85.17?(12) and 81.97?(12)° with the terminal imidazole rings. In the crystal, cations and anions are linked together via inter-molecular C-H?F hydrogen bonds forming a three-dimensional network.

| S-EPMC3052114 | biostudies-literature

[Bis-(2-pyrid-yl-?N)amine]chlorido(?-hexa-methyl-benzene)-ruthenium(II) hexa-fluorido-phosphate dichloro-methane solvate.

Project description:In the title half-sandwich complex, [RuCl(?(6)-C(12)H(18))(C(10)H(9)N(3))]PF(6)·CH(2)Cl(2), the ruthenium(II) ion is four-coordinated by a chloro, a hexa-methyl-benzene and a bidentate N,N'-chelating di(pyridin-2-yl)amine ligand. In the crystal, the amino N-H group forms a hydrogen bond with the chloro ligand of a neighbouring complex, thus forming chains along the b axis. Weak inter-molecular C-H?F and C-H? Cl contacts are also observed.

| S-EPMC3089226 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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