Browse
Submit Data
Databases
API
Help

Dataset Information

10 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of bis-(quinolin-1-ium) tetra-chlorido-ferrate(III) chloride.

ABSTRACT: The asymmetric unit of the title hybrid compound, (C9H8N)[FeCl4]Cl, comprises a tetra-hedral tetra-chlorido-ferrate(III) anion, [FeCl4](-), a Cl(-) anion and two quinolinium cations. There are N-H?Cl hydrogen-bonding inter-actions between the protonated N atoms of the quinolinium cations and the chloride anion, which together with ?-? stacking between adjacent quinolinium rings [centroid-to-centroid distances between C6 and C5N rings in adjacent stacked quinolinium cations of 3.609?(2) and 3.802?(2)?Å] serve to hold the structure together.

SUBMITTER: Boudjarda A

PROVIDER: S-EPMC4719870 | biostudies-other | 2015 Dec

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Crystal structure of bis-(quinolin-1-ium) tetra-chlorido-ferrate(III) chloride.

Boudjarda Azzedine A Bouchouit Karim K Arroudj Samiha S Bouacida Sofiane S Merazig Hocine H

Acta crystallographica. Section E, Crystallographic communications 20151231 Pt 12

The asymmetric unit of the title hybrid compound, (C9H8N)[FeCl4]Cl, comprises a tetra-hedral tetra-chlorido-ferrate(III) anion, [FeCl4](-), a Cl(-) anion and two quinolinium cations. There are N-H⋯Cl hydrogen-bonding inter-actions between the protonated N atoms of the quinolinium cations and the chloride anion, which together with π-π stacking between adjacent quinolinium rings [centroid-to-centroid distances between C6 and C5N rings in adjacent stacked quinolinium cations of 3.609 (2) and 3.802 ...[more]

PMID: 26870461

Similar Datasets

Tri-?-chlorido-bis-[(?-hexa-methyl-benzene)-ruthenium(II)] tetra-chlorido-ferrate(III).

Project description:The mol-ecular geometry of the complex cation in the title structure, [(?-Cl)(3){Ru(II)(?(6)-C(6)Me(6))}(2)][Fe(III)Cl(4)], compares very well with that reported earlier for the corresponding PF(6) (-) salt [Pandey et al. (1999 ?). J. Organomet. Chem.592, 278-282]. The [FeCl(4)](-) counter ion has a rather regular tetra-hedral geometry with Fe-Cl distances and Cl-Fe-Cl angles in the range 2.1891?(7)-2.2018?(8)?Å and 107.10?(3)-110.56?(3)°, respectively. There are no significant inter-molecular inter-actions in the crystal except for some weak C-H?Cl contacts, which in turn indicates that the crystal packing is determined predominantly by electrostatic inter-actions between the ionic constituents.

| S-EPMC3201229 | biostudies-literature

2-Carbamylpyridinium tetra-chlorido-ferrate(III).

Project description:The title compound, (C(6)H(7)N(2)O)[FeCl(4)], contains two carbamylpyridinium (picolinamidinium) cations, which are linked into chains by N(+)-H⋯O hydrogen bonds formed between protonated pyridyl N atoms and carbonyl groups. Tetra-chloridoferrate(III) anions lie between these chains, accepting N-H⋯Cl hydrogen bonds from both H atoms of the picolinamidium -NH(2) group.

| S-EPMC2970958 | biostudies-literature

Butyl-triethyl-ammonium tetra-chlorido-ferrate(III).

Project description:In the title compound, (C(10)H(24)N)[FeCl(4)], no classical hydrogen bonds are observed. The butyl-triethyl-ammonium cations inter-act with the tetra-hedral [FeCl(4)](-) anion through weak C-H?Cl inter-actions, forming a three-dimensional network.

| S-EPMC3344376 | biostudies-literature

Crystal structure of bis-(2-methyl-1H-imidazol-3-ium) tetra-chlorido-cobaltate(II).

Project description:The asymmetric unit of the title compound, (C4H7N2)2[CoCl4], consists of two 2-methyl-imidazolium cations and one tetra-hedral [CoCl4](2-) anion. The anions and cations inter-act through N-H⋯Cl hydrogen bonds to define layers with a stacking direction along [100]. Besides van der Waals forces, weak C-H⋯Cl inter-actions between these layers stabilize the crystal packing.

| S-EPMC4555386 | biostudies-literature

Crystal structure of metronidazolium tetra-chlorido-aurate(III).

Project description:Metronidazole (MET) [systematic names: 1-(2-hy-droxy-eth-yl)-2-methyl-5-nitro-1H-imidazole and 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethanol] is a medication that is used to treat infections from a variety of anaerobic organisms. As with other imidazole derivatives, metronidazole is also susceptible to protonation. However, there are few reports of the structures of metronidazolium derivatives. In the title compound, (C6H10N3O3)[AuCl4] [systematic name: 1-(2-hy-droxy-eth-yl)-2-methyl-5-nitro-1H-imidazol-3-ium tetra-chlorido-aur-ate(III)], the asymmetric unit consists of a metronidazolium cation, [H(MET)](+), and a tetra-chlorido-aurate(III) anion, [AuCl4](-), in which the Au(III) ion is in a slightly distorted square-planar coordination environment. In the cation, the nitro group is essentially coplanar with the imidazole ring, as indicated by an O N-C=C torsion angle of -0.2 (4)°, while the hy-droxy-ethyl group is in a coiled conformation, with an O(H)-C-C-N torsion angle of 62.3 (3)°. In the crystal, the anion and cation are linked by an inter-molecular O-H⋯Cl hydrogen bond. In addition, the N-H group of the metronidazolium ion serves as a hydrogen-bond donor to the O atom of the hy-droxy-ethyl group of a symmetry-related mol-ecule, leading to the formation of chains along [010].

| S-EPMC4518979 | biostudies-literature

Bis(morpholin-4-ium) tetra-chlorido-cobalt(II).

Project description:The title compound, (C(4)H(10)NO)(2)[CoCl(4)], is an ionic compound consisting of two protonated tetra-hydro-1,4-oxazine (morpholine) cations and a [CoCl(4)](2-) dianion. The Co(II) ion is in a tetra-hedral coordination geometry. The cations exhibit chair-shaped conformations. A three-dimensional supra-molecular architecture is formed through N-H?Cl and C-H?Cl hydrogen bonds between the dianions and the cations.

| S-EPMC3254319 | biostudies-literature

Crystal structure of trans-di-chlorido-(1,4,8,11-tetra-aza-cyclo-tetra-decane-?4 N)chromium(III) bis-(form-amide-?O)(1,4,8,11-tetra-aza-cyclo-tetra-decane-?4 N)chromium(III) bis-[tetra-chlorido-zincate(II)].

Project description:The structure of the title compound, [CrCl2(C10H24N4)][Cr(HCONH2)2(C10H24N4)][ZnCl4]2 (C10H24N4 = 1,4,8,11-tetra-aza-cyclo-tetra-decane, cyclam; HCONH2 = formamide, fa), has been determined from synchrotron X-ray data. The asymmetric unit contains two independent halves of the [CrCl2(cyclam)]+ and [Cr(fa)(cyclam)]3+ cations, and one tetra-chlorido-zincate anion. In each complex cation, the CrIII ion is coordinated by the four N atoms of the cyclam ligand in the equatorial plane and two Cl ligands or two O-bonded formamide mol-ecules in a trans axial arrangement, displaying a distorted octa-hedral geometry with crystallographic inversion symmetry. The Cr-N(cyclam) bond lengths are in the range 2.061?(2) to 2.074?(2)?Å, while the Cr-Cl and Cr-O(fa) bond distances are 2.3194?(7) and 1.9953?(19)?Å, respectively. The macrocyclic cyclam moieties adopt the centrosymmetric trans-III conformation with six- and five-membered chelate rings in chair and gauche conformations. The crystal structure is stabilized by inter-molecular hydrogen bonds involving the NH or CH groups of cyclam and the NH2 group of coordinated formamide as donors, and Cl atoms of the ZnCl4 2- anion as acceptors.

| S-EPMC7199251 | biostudies-literature

Benzyl-triethyl-ammonium tetra-chlorido-ferrate(III).

Project description:In the title mol-ecular salt, (C(13)H(22)N)[FeCl(4)], three of the chloride ions of the tetra-hedral Fe(III)-containing anion are disordered over two orientations in a 0.656?(11):0.344?(11) ratio. In the crystal, there are no identifiable directional inter-actions between cations and anions except for Coulombic forces.

| S-EPMC3379130 | biostudies-other

Crystal structure of di-chlorido-bis-(1,3,4,5-tetra-methyl-1H-imidazol-2-ium-2-thiol-ate-κS)nickel(II).

Project description:In the mol-ecular structure of the title compound, [NiCl2(C7H12N2S)2], the Ni(II) atom has a distorted tetra-hedral geometry, coordinated by two Cl atoms [Ni-Cl= 2.2336 (6) Å] and two thione S atoms [Ni-S= 2.3024 (6) Å]. The angles at the Ni(II) cation, which lies on a twofold rotation axis, are Cl-Ni-Cl = 115.58 (3)° and S-Ni-S = 94.55 (3)°. All other angles at the central Ni(II) atom range from 109.46 (2) to 112.96 (2)°. The C-S-Ni angle is 99.91 (6)°. The planes of two imidazolium rings make a dihedral angle of 70.56 (6)°.

| S-EPMC4571377 | biostudies-literature

Bis(1,10-phenanthrolin-1-ium) tetra-chlorido-zincate monohydrate.

Project description:In the crystal structure of the title compound, (C12H9N2)2[ZnCl4]·H2O, the two independent 1,10-phenanthrolinium cations are bridged by the water mol-ecule and the tetrahedral tetrachloridozincate anion via N-H?O, O-H?Cl and N-H?Cl hydrogen bonds, forming chains along [100]. The chains are linked via C-H?Cl hydrogen bonds and a number of ?-? inter-actions [centroid-centroid distances vary from 3.5594?(14) to 3.7057?(13)?Å], forming a three-dimensional network. In each 1,10-phenanthrolinium cation, there is a short N-H?N inter-action.

| S-EPMC3998259 | 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