Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Pei W

PROVIDER: S-EPMC2961036 | biostudies-literature | 2008 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Pei Wen W Si Xiaoyang X Ji Dengxiang D Ji Jianbing J

Acta crystallographica. Section E, Structure reports online 20080320 Pt 4

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. ...[more]

PMID: 21202111

Similar Datasets

Crystal structure of 1-benzyl-3-methyl-1H-imidazolium hexa-fluorido-phosphate.

Project description:In the title salt, C11H13N2 (+)·PF6 (-), the dihedral angle between the planes of the imidazole and benzene rings is 84.72?(4)°. In the crystal, C-H?F inter-actions connect the cation and anion pairs into a three-dimensional network. Weak ?-? inter-actions are observed between the imidazolium ring and the aromatic benzene ring of an adjacent mol-ecule with C?C and C?N distances ranging from 3.3714?(16) to 3.4389?(15)?Å.

| S-EPMC4257422 | biostudies-literature

1-{2-[(2,4-Dichloro-benzyl-idene)amino]eth-yl}-3-methyl-imidazolium hexa-fluoro-phosphate.

Project description:In the title Schiff base compound, C(13)H(14)Cl(2)N(3) (+)·PF(6) (-), the dihedral angle between the aromatic ring and imidazole ring in the cation is 6.10?(2)°. Inter-molecular C-H?F hydrogen-bonding inter-actions and ?-? stacking inter-actions [centoid-centroid distance = 3.7203?(12)?Å] help stabilize the crystal packing.

| S-EPMC2972013 | biostudies-literature

Diacetonitrile-(3-{2-[8-(2-bromo-eth-oxy)-9,10-dioxoanthracen-1-yl-oxy]eth-yl}-1-(2-pyridyl-meth-yl)imidazolium)silver(I) bis-(hexa-fluorido-phosphate).

Project description:The title compound, [Ag(C(27)H(23)BrN(3)O(4))(CH(3)CN)(2)](PF(6))(2), is a mononuclear salt species in which the silver(I) atom is coordinated by one ligand and two acetonitrile mol-ecules and exhibits a distorted T-shaped coordination. The asymmetric unit contains one independent cation and two independent hexa-fluorido-phosphate anions, one of which is disordered over two positions in a 0.756?(11):0.244?(11) ratio. Weak ?-? inter-actions between the anthraquinone ring systems [centroid-centroid distance = 3.676?(3)?Å], inter-molecular Ag-? inter-actions [Cg?Ag = 3.405?Å] and C-H?? inter-actions between pairs of adjacent mol-ecules are observed.

| S-EPMC3007485 | biostudies-literature

1-{2-[2-(1H-Benzimidazol-1-yl)eth-oxy]eth-yl}-1H-benzimidazol-3-ium hexa-fluoro-phosphate.

Project description:In the title salt, C(18)H(19)N(4)O(+)·PF(6) (-), the dihedral angle between the benzimidazolium and benzimidazole ring systems is 16.24?(2)°. In the cation, a ?-? inter-action is observed between the imidazolium ring and the benzene ring of the benzimidazole ring system [centroid-centroid distance = 3.5713?(11)?Å]. The PF(6) (-) ion is disordered over two sites, with occupancies of 0.895?(2) and 0.105?(2). In the crystal structure, pairs of N-H?N hydrogen bonds link the cations, forming centrosymmetric dimers. The dimers are linked via ?-? inter-actions [centroid-centroid distance = 3.5606?(11)?Å]. In addition, C-H?F hydrogen bonds are observed.

| S-EPMC2979123 | biostudies-literature

(η-Cyclo-penta-dien-yl)[η-diethyl eth-yl(phen-yl)malonate]iron(II) hexa-fluorido-phosphate.

Project description:At 223 (2) K, the complexed rings in the iron(II) complex cation of the title salt, [Fe(C(5)H(5))(C(15)H(20)O(4))]PF(6), are almost parallel [dihedral angle between planes = 4.10 (14)°]. Among the C atoms of the complexed arene ring, the quaternary C atom is located at the longest distance from the Fe atom. The F atoms of the PF(6) (-) anion were found to be equally disordered over two sites.

| S-EPMC2959750 | biostudies-literature

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

Project description: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.

| S-EPMC3343779 | biostudies-literature

Poly[[{?(3)-tris-[2-(4-phenyl-1,2,3-triazol-1-yl)eth-yl]amine}silver(I)] hexa-fluorido-phosphate].

Project description:The title compound, {[Ag(L)]PF(6))(n) {L is tris-[2-(4-phenyl-1,2,3-triazol-1-yl)eth-yl]amine, C(30)H(30)N(10)}, consists of alternating two-dimensional cationic layers of [Ag(L)](+) and anionic PF(6) (-) layers. Each Ag(I) atom is three coordinated in a T-shaped geometry by three N atoms from three ligands. Each ligand links three Ag(I) atoms, generating a two-dimensional network structure with two different metallacycles, A and B. In A, eight coordination units from four ligands connect four Ag(I) atoms, forming a 48-membered ring. In B, four coordination units from two ligands link two Ag(I) atoms, forming a 24-membered ring. Each B ring is surrounded by four A rings, and each A ring has four A and four B rings as neighbours. This cationic layer thus generates a 4.8(2) topology network, with each Ag(I) centre and ligand acting as a three-connected topological node.

| S-EPMC2959415 | 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

(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

[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 ›

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