Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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).

SUBMITTER: Nenwa J

PROVIDER: S-EPMC3515093 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

4-(Dimethyl-amino)-pyridinium trans-diaqua-bis-[oxalato(2-)-?O,O]chromate(III).

Project description:In the title salt, (C(7)H(11)N(2))[Cr(C(2)O(4))(2)(H(2)O)(2)], the asymmetric unit contains one half-cation and one half-anion. The Cr atom, the C and N atoms involved in C- N(exocyclic) bonding and the N and H atoms of N-H groups lie on twofold rotation axis. The Cr(III) atom of the complex anion is six-coordinated in a distorted (4 + 2) octa-hedral geometry with four equatorial O atoms of two nearly coplanar oxalate and two quasi-axial aqua O atoms. In the crystal, the protonated N atoms of the pyridine rings are hydrogen bonded to the carbonyl O atoms of the anions, forming chains along [010]. These chains are connected by lateral O-H?O hydrogen bonds, stabilizing the structure.

| S-EPMC3009100 | 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

3-Amino-pyridinium trans-diaqua-dioxalato-chromate(III).

Project description:In the structure of the title compound, (C?H?N?)[Cr(C?O?)?(H?O)?], two crystallographically independent formula units are present. Both chromium atoms are six-coordinated in a distorted octa-hedral geometry by two chelating equatorial oxalato ligands and two axial water mol-ecules. The [Cr(C?O?)?(H?O)?]? anions and C?H?N? ? cations are linked through a complex three-dimensional hydrogen-bonding network consisting of N-H?O and O-H?O inter-actions.

| S-EPMC3393173 | 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

4-Amino-pyridinium trans-diaqua-dioxalatochromate(III) monohydrate.

Project description:In the non-centrosymmetric structure of the title compound, (C(5)H(7)N(2))[Cr(C(2)O(4))(2)(H(2)O)(2)]·H(2)O, the Cr(III) ion has a slightly distorted octa-hedral coordination environment defined by two chelating oxalato ligands in equatorial positions and two water mol-ecules in axial positions. An extensive three-dimensional network of hydrogen bonds involving all the water mol-ecules, the 4-amino-pyridinium cation and some of the oxalate O atoms contributes to the stabilization of the structure. ?-? inter-actions between adjacent pyridine rings provide additional stability of the crystal packing, with a closest distance between pyridine mean planes of 3.613?(1)?Å.

| S-EPMC3238586 | biostudies-literature

Pyridinium diaqua-bis-(methyl-enediphospho-nato-?O,O')chromate(III) tetra-hydrate.

Project description:In the title complex, (C(5)H(6)N)[Cr(CH(4)O(6)P(2))(2)(H(2)O)(2)]·4H(2)O, the Cr(III) atom, lying on an inversion centre, is coordinated by two bidentate methyl-ene diphospho-nate ligands and two water molecules in a distorted octa-hedral coordination geometry. The pyridinium cation is located on an inversion centre, with an N atom and a C atom sharing a position each at a half occupancy. A three-dimensional network is constructed by O-H?O, N-H?O and C-H?O hydrogen bonds between the pyridin-ium cation, complex anion and uncoordinated water mol-ecules.

| S-EPMC3007482 | biostudies-literature

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

Project description: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.

| S-EPMC4571360 | biostudies-literature

Crystal structure of tris-[4-(di-methyl-amino)-pyridinium] tris-(oxalato-?(2) O,O')chromate(III) tetra-hydrate.

Project description:In the title hybrid salt, (C7H11N2)3[Cr(C2O4)3]·4H2O, the central Cr(III) ion of the complex anion (point group symmetry 2) is coordinated by six O atoms from three chelating oxalate(2-) ligands in a slightly distorted octa-hedral coordination sphere. The Cr-O bond lengths vary from 1.9577?(11) to 1.9804?(11)?Å, while the chelate O-Cr-O angles range from 82.11?(6) to 93.41?(5)°. The 4-(di-methyl-amino)-pyridinium cations (one situated in a general position and one on a twofold rotation axis) are protonated at the pyridine N atoms. In the crystal, N-H?O and O-H?O hydrogen bonds link the cations and anions into a three-dimensional network. ?-? inter-actions between the pyridine rings of adjacent cations provide additional stabilization of the crystal packing, with the closest centroid-to-centroid distances being 3.541?(1) and 3.575?(1)?Å.

| S-EPMC4645054 | biostudies-literature

3-(Amino-carbon-yl)pyridinium diaqua-bis-(pyridine-2,6-dicarboxyl-ato)bis-muthate(III) monohydrate.

Project description:The asymmetric unit of the ionic title compound, (C(6)H(7)N(2)O)[Bi(C(7)H(3)NO(4))(2)(H(2)O)(2)]·H(2)O or (acpyH)[Bi(pydc)(2)(H(2)O)(2)]·H(2)O, contains an [Bi(pydc)(2)(H(2)O)(2)](-) anion (where pydcH(2) is pyridine-2,6-dicarb-oxy-lic acid), a protonated 3-(amino-carbon-yl)pyridine as counter-ion, (acpyH)(+), and one uncoordinated water mol-ecule. The anion is an eight-coordinate complex with a square-anti-prismatic geometry around the Bi(III) atom. In the crystal, extensive O-H?O and N-H?O hydrogen bonds, as well as ion pairing, C=O?? inter-actions [O?centroid distance = 3.583?(5)?Å], ?-? stacking [centroid-centroid distance = 3.864?(3)?Å], and C-H?? and C-H?O inter-actions, play an important role in the formation and stabilization of the three-dimensional supra-molecular structure.

| S-EPMC3393208 | biostudies-literature

Bis(4-amino-pyridinium) bis-(oxalato-?O,O')cuprate(II) dihydrate.

Project description:The Cu(II) atom in the title salt, (C(5)H(7)N(2))(2)[Cu(C(2)O(4))(2)]·2H(2)O, is located on a center of inversion and is chelated by two oxalate groups in a square-planar coordination geometry. The cation, anion and water mol-ecules inter-act through hydrogen bonds, forming a three-dimensional hydrogen-bonded network.

| S-EPMC2915147 | 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