Browse
Submit Data
Databases
API
Help

Dataset Information

21 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of 4-(di-methyl-amino)-pyridinium cis-di-aqua-bis-(oxalato-?(2) O,O')ferrate(III) hemihydrate.

ABSTRACT: The Fe(III) ions in the hybrid title salt, (C7H11N2)[Fe(C2O4)2(H2O)2]·0.5H2O, show a distorted octa-hedral coordination environment, with four O atoms from two chelating oxalate dianions and two O atoms from two cis aqua ligands. The average Fe-O(oxalate) bond length [2.00?(2)?Å] is shorter than the average Fe-O(water) bond length [2.027?(19)?Å]. The ionic components are connected via inter-molecular N-H?O and O-H?O hydrogen bonds into a three-dimensional network.

SUBMITTER: Djomo ED

PROVIDER: S-EPMC4571360 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structure of 4-(di-methyl-amino)-pyridinium cis-di-aqua-bis-(oxalato-κ(2) O,O')ferrate(III) hemihydrate.

Djomo Edith Dimitri ED Capet Frédéric F Nenwa Justin J Bélombé Michel M MM Foulon Michel M

Acta crystallographica. Section E, Crystallographic communications 20150715 Pt 8

The Fe(III) ions in the hybrid title salt, (C7H11N2)[Fe(C2O4)2(H2O)2]·0.5H2O, show a distorted octa-hedral coordination environment, with four O atoms from two chelating oxalate dianions and two O atoms from two cis aqua ligands. The average Fe-O(oxalate) bond length [2.00 (2) Å] is shorter than the average Fe-O(water) bond length [2.027 (19) Å]. The ionic components are connected via inter-molecular N-H⋯O and O-H⋯O hydrogen bonds into a three-dimensional network. ...[more]

PMID: 26396759

Similar Datasets

Crystal structure of bis-[4-(di-methyl-amino)-pyridinium] aqua-bis-(oxalato)oxidovanadate(IV) dihydrate.

Project description:The title organic-inorganic hybrid salt, (C7H11N2)2[V(C2O4)2O(H2O)]·2H2O, shows a distorted octa-hedral coordination environment for the vanadium(IV) atom in the anion (point group symmetry 2), with four O atoms from two symmetry-related chelating oxalate dianions and two O atoms in trans configuration from a coordinating water mol-ecule and a terminal vanadyl O atom. In the crystal, (001) layers of cations and anions alternate along [001]. The anionic layers are built up by inter-molecular O-H⋯O hydrogen bonds involving the coordinating and solvent water mol-ecules. The cationic layers are linked to the anionic layers via N-H⋯O hydrogen bonds between the pyridinium group and the non-coordinating O atoms of the oxalate group. The 4-(di-methyl-amino)-pyridinium cations are also engaged in π-π stacking with their anti-parallel neighbours [centroid-to-centroid distance = 3.686 (2) Å]. Considering all supra-molecular features, a three-dimensional network structure is accomplished.

| S-EPMC4992925 | biostudies-literature

Pyridinium trans-di-aqua-bis-[oxalato(2-)-?(2) O (1),O (2)]chromate(III) urea monosolvate.

Project description:The asymmetric unit of the title solvated mol-ecular salt, (C5H6N)[Cr(C2O4)2(H2O)2]·CO(NH2)2, contains half a formula unit. Each component is completed by crystallographic twofold symmetry: in the cation, one C and the N atom lie on the rotation axis; in the anion, the Cr(III) ion lies on the axis; in the solvent mol-ecule, the C and the O atom lie on the axis. The aqua ligands are in a trans disposition in the resulting CrO6 octa-hedron. In the crystal, the components are linked by O-H?O, N-H?O and N-H?(O,O) hydrogen bonds, generating a three-dimensional network.

| S-EPMC3790368 | biostudies-literature

Hexa-aqua-nickel(II) bis-[tri-aqua-?3-oxalato-di-?-oxalato-bariumchromate(III)] tetra-hydrate.

Project description:The title compound, [Ni(H2O)6][BaCr(C2O4)3(H2O)3]2·4H2O, was obtained in the form of single crystals from the slow evaporation of an aqueous mixture of {Ba6(H2O)17[Cr(C2O4)3]4}·7H2O and NiSO4·6H2O in the molar ratio 1:4. Its structure is made up of corrugated anionic (101) layers of formula [BaCr(C2O4)3(H2O)3] n n - that leave voids accommodating the charge-compensating cations, [Ni(H2O)6]2+ (point group symmetry ), as well as the water mol-ecules of crystallization. The anionic layers are built from the connection of barium and chromium atoms through bridging oxalate ligands. The CrIII atom is hexa-coordinated by O atoms of three oxalate ligands while the BaII atom is tenfold coordinated by three O atoms of water mol-ecules and seven O atoms of four oxalate ligands. Each NiII atom sits on an inversion center and is coordinated by six water mol-ecules. One of the uncoordinated water mol-ecules is disordered over two sites, with a refined occupancy ratio of 0.51?(5):0.49?(5). In the crystal, extensive O-H?O hydrogen-bonding inter-actions link the anionic layers, the charge-balancing cations as well as the water mol-ecules of crystallization into a three-dimensional supra-molecular network.

| S-EPMC7405579 | biostudies-literature

Pyridinium cis-diaqua-bis-(oxalato-?(2)O,O')chromate(III).

Project description:The title compound, (C(5)H(6)N)[Cr(C(2)O(4))(2)(H(2)O)(2)], contains one protonated pyridine mol-ecule and one [Cr(C(2)O(4))(2)(H(2)O)(2)](-) complex anion in the asymmetric unit. The Cr(III) in the complex anion is coordinated in a distorted octa-hedral environment by two O atoms from two cis water mol-ecules and four O atoms from two chelating oxalate dianions. The crystal packing is stabilized by inter-molecular N-H?O(oxalate) and O-H?O(oxalate) hydrogen bonds and by ?-? stacking inter-actions (centroid-centroid distance = 3.602?Å) between pyridine rings, thereby building up a three-dimensional network.

| S-EPMC3515167 | biostudies-literature

Bis(5-amino-1H-tetra-zole-κN (4))di-aqua-(oxalato-κ(2) O (1),O (2))cadmium.

Project description:In the monomeric title complex, [Cd(C2O4)(CH3N5)2(H2O)2], the Cd(II) ion exhibits a distorted octa-hedral coordination geometry, with the equatorial plane defined by two O atoms from an oxalate ligand and two N atoms from two 5-amino-1H-tetra-zole ligands; the axial sites are occupied by two water mol-ecules, with longer Cd-O bond lengths. An intra-molecular N-H⋯O hydrogen bond occurs. In the crystal, N-H⋯O as well as O-H⋯O and O-H⋯N hydrogen bonds (some of which are bifurcated) link the complex mol-ecules into a three-dimensional network.

| S-EPMC3884986 | biostudies-literature

catena-Poly[[[tetra-aqua-magnesium]-trans-?-[(piperazine-1,4-diium-1,4-di-yl)bis-(methyl-ene)]di-phospho-nato] hemihydrate].

Project description:The structure of the title polymer, }[Mg(C6H14N2O6P2)(H2O)4]·0.5H2O} n , is based on centrosymmetric MgO6 octahedra, which are linked by [(piperazine-1,4-diium-1,4-di-yl)bis-(methyl-ene)]di-phospho-nate ligands, forming chains parallel to [1-1-1]. These chains are connected via hydrogen bonds primarily formed between the phospho-nate groups and water mol-ecules. The latter constitute four of the corners of the MgO6 polyhedra and bind to the O atoms of the phospho-nate groups of neighbouring chains. The lattice water molecule is disordered around an inversion centre, exhibiting an occupancy of 0.25.

| S-EPMC3793689 | biostudies-literature

2-Amino-pyridinium trans-diaqua-bis-(oxalato-κ(2)O,O)chromate(III).

Project description:In the title hybrid salt, (C(5)H(7)N(2))[Cr(H(2)O)(2)(C(2)O(4))(2)], the Cr(III) ion is coordinated in a slightly distorted octa-hedral environment by four O atoms from two oxalate ligands in the equatorial plane and by two water O atoms in the axial sites. The 2-amino-pyridinium cation is disordered over two sets of sites in a 0.800 (7):0.200 (7) ratio. In the crystal, N-H⋯O and O-H⋯O hydrogen bonds connect the components into a three-dimensional network. The crystal studied was an inversion twin with components in a ratio 0.75 (2):0.25 (2).

| S-EPMC3515093 | biostudies-literature

2-Amino-6-methyl-pyridinium trans-di-aqua-dioxalatochromate(III) monohydrate.

Project description:In the title compound, (C6H9N2)[Cr(C2O4)2(H2O)2]·H2O, the Cr(III) atom adopts a slightly distorted octa-hedral coordination environment defined by two chelating oxalate ligands in the equatorial plane and two water mol-ecules in axial positions. A three-dimensional network is generated by inter-molecular N-H?O and O-H?O hydrogen-bonding interactions involving the cation, the complex anion and the lattice water molecule.

| S-EPMC3884382 | biostudies-literature

Crystal structure of 2,6-bis-(2-hy-droxy-5-methyl-phen-yl)-4-phenyl-pyridinium bromide di-chloro-methane hemisolvate hemihydrate.

Project description:The asymmetric unit in the structure of the title compound, C25H22NO2 (+)·Br (-)·0.5CH2Cl2·0.5H2O, comprises two pseudosymmetry-related cations, two bromide anions, a di-chloro-methane molecule and a water mol-ecule of solvation. The two independent cations are conformationally similar with the comparative dihedral angles between the central pyridine ring and the three benzene substituent rings being 3.0?(2), 36.4?(1) and 24.2?(1)°, and 3.7?(2), 36.5?(1) and 24.8?(1)°, respectively. In the crystal, the cations, anions and water mol-ecules are linked through O-H?O and O-H?Br hydrogen bonds, forming an insular unit. Within the cations there are also intra-molecular N-H?O hydrogen bonds. Adjacent centrosymmetrically related aggregates are linked by ?-? stacking inter-actions between the pyridine ring and a benzene ring in both cations [ring-centroid separations = 3.525?(3) and 3.668?(3)?Å], forming chains extending across the ac diagonal. Voids between these chains are filled by dichloromethane molecules.

| S-EPMC4719919 | biostudies-literature

Bis(2,6-di-methyl-anilinium) di-aqua-bis-(di-hydrogen diphosphato-?(2) O,O')cobaltate(II).

Project description:In the title compound, (C8H12N)2[Co(H2P2O7)2(H2O)2], the Co(2+) ion lies on a crystallographic inversion centre and adopts a slightly distorted octa-hedral CoO6 coordination geometry arising from two chelating diphosphate [H2P2O7](2-) ligands and two trans water mol-ecules. In the crystal, the components are linked by O-H?O, N-H?O and C-H?O hydrogen bonds and weak aromatic ?-? stacking [shortest centroid-centroid separation = 3.778?(2)?Å] inter-actions. (001) layers of alternating organic cations and complex inorganic anions are apparent.

| S-EPMC3998415 | 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