Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,4-Bis[(3-allyl-imidazolium-1-yl)meth-yl]mesitylene bis-(hexa-fluoridophosphate).

ABSTRACT: In the title mol-ecular salt, C(23)H(30)N(4) (2+)·2PF(6) (-), the central benzene ring of the cation makes dihedral angles of 89.80?(8) and 85.23?(7)° with the pendant imidazole rings. In the crystal, the cations and anions are linked by numerous C-H?F hydrogen bonds, thereby forming a three-dimensional network.

SUBMITTER: Haque RA

PROVIDER: S-EPMC3213513 | biostudies-other | 2011 Aug

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

2,4-Bis[(3-allyl-imidazolium-1-yl)meth-yl]mesitylene bis-(hexa-fluoridophosphate).

Haque Rosenani A RA Ghdhayeb Mohammed Z MZ Hemamalini Madhukar M Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20110716 Pt 8

In the title mol-ecular salt, C(23)H(30)N(4) (2+)·2PF(6) (-), the central benzene ring of the cation makes dihedral angles of 89.80 (8) and 85.23 (7)° with the pendant imidazole rings. In the crystal, the cations and anions are linked by numerous C-H⋯F hydrogen bonds, thereby forming a three-dimensional network. ...[more]

PMID: 22091092

Similar Datasets

Bis{1,4-bis-[(3-butyl-imidazolium-1-yl)meth-yl]benzene}-silver(I) bis-(hexa-fluoridophosphate).

Project description:The asymmetric unit of the title complex, [Ag(2)(C(22)H(30)N(4))(2)](PF(6))(2), consists of one Ag(I) ion, one 1,4-bis-[(3-butyl-imidazolium-1-yl)meth-yl]benzene ligand and one discrete hexa-fluoridophosphate anion. The formula unit is generated by an inversion center. The unique Ag(I) ion is coordinated by two C atoms of two heterocyclic carbene ligands in an essentially linear geometry. In the crystal structure, cations and anions are linked through weak C-H⋯F hydrogen bonds, forming a three-dimensional network.

| S-EPMC2983204 | biostudies-literature

1,3-Bis[(3-allyl-imidazol-3-ium-1-yl)meth-yl]benzene bis-(hexa-fluoridophosphate).

Project description:In the title compound, C(20)H(24)N(4) (2+)·2PF(6) (-), the ethene and 3-allyl-imidazolium moieties of the cation are disordered over two positions with refined site occupancies of 0.664?(19):0.336?(19) and 0.784?(7):0.216?(7), respectively, whereas four F atoms of one hexa-fluoridophosphate anion and all atoms in the other hexa-fluoridophosphate anion are disordered over two positions with refined site occupancies of 0.764?(5):0.2365) and 0.847?(9):0.153?(9), respectively. The benzene ring is inclined at angles of 78.2?(3), 81.3?(4) and 73.9?(12)° with the 1H-imidazol-3-ium ring and the major and minor components of the disordered 1H-imidazol-3-ium ring, respectively. In the crystal, the hexa-fluoridophosphate anions link the cations into two-dimensional networks parallel to (001) via inter-molecular C-H?F hydrogen bonds. The crystal structure is further consolidated by ?-? [centroid-centroid distance = 3.672?(3)?Å] and C-H?? inter-actions.

| S-EPMC3050142 | biostudies-other

9,10-Bis{2-[1-(2-pyridylmeth-yl)imidazolium-3-yl]eth-oxy}anthracene bis(hexa-fluoridophosphate).

Project description:The cation of the title compound, C(36)H(34)N(6)O(2) (2+)·2PF(6) (-), lies across a crystallographic inversion centre. The imidazole and pyridine rings form dihedral angles of 82.28 (5)° and 11.87 (7)°, respectively, with the anthracene ring system. The crystal packing is stabilized by π-π inter-actions between the pyridine ring and the central ring of anthracene, with a ring centroid-centroid distance of 3.684 (3) Å. The PF(6) (-) anion is disordered over three different positions with occupancies of 0.284 (6), 0.354 (8) and 0.362 (9).

| S-EPMC2915252 | biostudies-literature

Bis(1-benzyl-3-methyl-imidazolium-κC)mercury(II) bis-(hexa-fluoridophosphate).

Project description:The asymmetric unit of the title complex, [Hg(C(11)H(12)N(2))(2)](PF(6))(2), consists of one bis-(1-benzyl-3-methyl-imidazolium)mercury(II) cation, one half of the cation and an additional Hg(II) atom, which lies on an inversion centre, and three hexa-fluorido-phosphate anions. The Hg(II) atoms exist in a linear coordination geometry [C-Hg-C = 178.9 (2) and 180°] formed by two carbene C atoms from the imidazole rings. In the crystal, the cations and anions are connected via C-H⋯F hydrogen bonds, forming a three-dimensional network.

| S-EPMC3200814 | biostudies-literature

Potassium bis-[bis-(1-benzyl-3-methyl-imidazolium)silver(I)] tris-(hexa-fluoridophosphate).

Project description:In the title compound, K[Ag(C(11)H(12)N(2))(2)](2)(PF(6))(3), the 12-coordinate potassium cation lies on a crystallographic twofold axis and one of the hexa-fluoro-phosphate anions is generated by symmetry. In the complex cation, the Ag(I) ion is coordinated by two C atoms; the two imidazolium rings are orientated at a dihedral angle of 8.14?(14)°. In the 1-benzyl-3-methyl-imidazolium units, the dihedral angles between imidazolium and phenyl rings are 80.47?(15) and 76.53?(14)°. The F atoms of the general-position hexa-fluoro-phosphate anion are disordered over two sets of sites in a 0.767?(17):0.233?(17) ratio. In the crystal, the hexa-fluoro-phosphate anions link the cations into three-dimensional networks via inter-molecular C-H?F hydrogen bonds and are further consolidated by ?-? stacking [centroid-centroid distances = 3.5518?(15)?Å] inter-actions.

| S-EPMC3050194 | 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

4-[(2'-Cyano-biphenyl-4-yl)meth-yl]morpholin-4-ium hexa-fluoridophosphate.

Project description:In the cation of the title compound, C(18)H(19)N(2)O(+)·PF(6) (-), the morpholine ring adopts the usual chair conformation and the dihedral angle between the benzene rings is 67.55 (11)°. The F atoms of the anion are disordered over two orientations with a refined occupancy ratio of 0.65 (2):0.35 (2). In the crystal, inter-molecular N-H⋯N hydrogen bonds link the cations into chains parallel to the c axis. The crystal packing is further enforced by inter-ionic C-H⋯F hydrogen bonds.

| S-EPMC3344511 | biostudies-literature

(Acetato-?O){bis-[(2,4-dimethyl-1H-pyrazol-1-yl)meth-yl][(pyridin-2-yl)meth-yl]amine}-cobalt(II) hexa-fluorido-phosphate.

Project description:In the title compound, [Co(CH(3)CO(2))(C(18)H(24)N(6))]PF(6), the Co(II) atom is penta-coordinated in a distorted trigonal-bipyramidal geometry by four N atoms from a tripodal ligand and one O atom from a monodentate acetate ligand. The crystal packing is stabilized by inter-molecular C-H?F and C-H?O hydrogen bonds.

| S-EPMC3470138 | biostudies-literature

1,3-Bis[(6-methyl-2-pyrid-yl)meth-yl]imidazolium bromide.

Project description:The title compound, C(17)H(19)N(4) (+)·Br(-), is built up from 1,3-bis-[(6-methyl-2-pyridin-yl)meth-yl]imidazolium cations and bromide anions. Each of two 6-methyl-2-pyridyl rings is rotated out of the imidazole plane, making dihedral angles of 79.90?(9) and 86.40?(9)°. The packing is consolidated by aromatic ?-? inter-actions between the pyridine rings of neighbouring mol-ecules [centroid-centroid distance = 3.554?(2)?Å] and by weak C-H?N and C-H?Br hydrogen bonds.

| S-EPMC2968481 | 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

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