Browse
Submit Data
Databases
API
Help

Dataset Information

18 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Saad AB

PROVIDER: S-EPMC3998415 | biostudies-literature | 2014 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Saad Ahlem Ben AB Selmi Ahmed A Rzaigui Mohamed M Akriche Samah Toumi ST

Acta crystallographica. Section E, Structure reports online 20140208 Pt 3

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 π-π stacking [shortest centroid-centroid separation = 3.778 (2) Å] inter-actions. (001) layers of alternating organic cation ...[more]

PMID: 24764950

Similar Datasets

m-Xylylenediaminium di-aqua-bis-[di-hydrogen diphosphato(2-)]cobaltate(II) dihydrate.

Project description:In the title complex, (C8H14N2)[Co(H2P2O7)2(H2O)2]·2H2O, the Co(II) ion lies on an inversion center and is coordinated by two bidentate diphosphate ligands and two water mol-ecules in a slightly distorted octa-hedral coordination geometry. The m-xylylenediaminium cation is located on a twofold rotation axis. In the crystal, a three-dimensional supra-molecular assembly is constructed by O-H?O and N-H?O hydrogen bonds between the organic cations, complex anions and uncoordin-ated water mol-ecules.

| S-EPMC3790354 | biostudies-literature

Bis(2-methyl-anilinium) diaqua-bis[dihydrogendiphosphato(2-)]cobaltate(II).

Project description:In the title cobalt(II) complex with 2-methyl-anilinium and diphosphate, (C(7)H(10)N)(2)[Co(H(2)P(2)O(7))(2)(H(2)O)(2)], a three-dimensional network is built up from anionic layers of [Co(H(2)P(2)O(7))(2)(H(2)O)(2)](2-) units and 2-methyl-anilinium cations located between these layers. The dihydrogendiphosphate groups present a bent eclipsed conformation, while the Co(2+) ions lie on inversion centers. An intricate network of O-H?O and N-H?O hydrogen bonds is established between the different components, assuring the cohesion of the network with other inter-actions, being of electrostatic and van der Waals nature.

| S-EPMC2971134 | biostudies-literature

Bis(2-meth-oxy-benzyl-ammonium) di-aqua-bis-(di-hydrogen diphosphato-?(2) O,O')cobaltate(II) dihydrate.

Project description:The title compound, (C8H12NO)2[Co(H2P2O7)2(H2O)2]·2H2O, crystallizes isotypically with its Mn(II) analogue. It consists of alternating layers of organic cations and inorganic complex anions, extending parallel to (100). The complex cobaltate(II) anion exhibits -1 symmetry. Its Co(2+) atom has an octa-hedral coordination sphere, defined by two water mol-ecules in apical positions and two H2P2O7 (2-) ligands in equatorial positions. The cohesion between inorganic and organic layers is accomplished by a set of O-H?O and N-H?O hydrogen bonds involving the organic cation, the inorganic anion and the remaining lattice water mol-ecules.

| S-EPMC3998531 | biostudies-literature

Crystal structure of tetra-aqua-bis(3,5-di-amino-4H-1,2,4-triazol-1-ium)cobalt(II) bis-[bis-(pyridine-2,6-di-carboxyl-ato)cobaltate(II)] dihydrate.

Project description:The asymmetric unit of the title compound, [Co(C2H6N5)2(H2O)4][Co(C7H3NO4)2]2·2H2O, features 1.5 Co(II) ions (one anionic complex and one half cationic complex) and one water mol-ecule. In the cationic complex, the Co(II) atom is located on an inversion centre and is coordinated by two triazolium cations and four water mol-ecules, adopting an octa-hedral geometry where the N atoms of the two triazolium cations occupy the axial positions and the O atoms of the four water mol-ecules the equatorial positions. The two triazole ligands are parallel offset (with a distance of 1.38?Å between their planes). In the anionic complex, the Co(II) ion is six-coordinated by two N and four O atoms of the two pyridine-2,6-di-carboxyl-ate anions, exhibiting a slightly distorted octa-hedral coordination geometry in which the mean plane of the two pyridine-2,6-di-carboxyl-ate anions are almost perpendicular to each other, making a dihedral angle of 85.87?(2)°. In the crystal, mol-ecules are linked into a three-dimensional network via C-H?O, C-H?N, O-H?O and N-H?O hydrogen bonds.

| S-EPMC4459343 | biostudies-literature

Crystal structure of di-aqua-bis-(2,6-di-methyl-pyrazine-?N)bis-(thio-cyanato-?N)cobalt(II) 2,5-di-methyl-pyrazine tris-olvate.

Project description:In the crystal structure of the title compound, [Co(NCS)2(C6H8N2)2(H2O)2]·3C6H8N2, the Co(II) cation is coordinated by two terminally N-bound thio-cyanate anions, two water mol-ecules and two 2,6-di-methyl-pyrazine ligands, forming a discrete complex with a slightly distorted octa-hedral N4O2 coordination environment. The asymmetric unit contains one Co(II) cation and three halves of 2,5-di-methyl-pyrazine solvate mol-ecules, all entities being completed by inversion symmetry, as well as one thio-cyanate anion, an aqua ligand and a 2,6-di-methyl-pyrazine ligand, all in general positions. In the crystal, discrete complexes are arranged in a way that cavities are formed where the noncoordinating 2,5-di-methyl-pyrazine mol-ecules are located. The coordination of the latter to the metal is prevented due to the bulky methyl groups in vicinal positions to the N atoms, leading to a preferential coordination through the 2,6-di-methyl-pyrazine ligands. The complex mol-ecules are linked by O-H?N hydrogen bonds between the water H atoms and the N atoms of 2,5-di-methyl-pyrazine solvent mol-ecules, leading to a layered structure extending parallel to (100).

| S-EPMC4719868 | biostudies-literature

Bis(2,4,6-triamino-1,3,5-triazin-1-ium) hexa-aqua-cobalt(II) bis-[bis-(pyridine-2,6-dicarboxyl-ato)cobaltate(II)] tetra-hydrate.

Project description:The title compound, (C(3)H(7)N(6))(2)[Co(H(2)O)(6)][Co(C(7)H(3)NO(4))(2)](2)·4H(2)O, or (tataH)(2)[Co(H(2)O)(6)][Co(pydc)(2)](2)·4H(2)O (where tata is 2,4,6-triamino-1,3,5-triazine and pydc is pyridine-2,6-dicarboxylic acid), was obtained by reaction of Co(NO(3))(2)·6H(2)O with the proton-transfer compound (tataH)(2)(pydc) in aqueous solution. The [Co(pydc)(2)](2-) anion is a six-coordinate Co(II) complex with a distorted octa-hedral coordination geometry. The structure also contains hexa-aqua-cobalt(II) cations (site symmetry ), (tataH)(+) cations and uncoordinated water mol-ecules. The two(pydc)(2-) ligands in each [Co(pydc)(2)](2-) anion are almost perpendicular to each other [dihedral angle between their mean planes = 82.3?(1)°]. There is extensive O-H?O, N-H?N, O-H?N and C-H?O hydrogen bonding in the structure, as well as ?-? stacking between (pydc)(2-) ligands with an inter-planar distance of 3.484?(15)?Å.

| S-EPMC2915120 | biostudies-literature

Di-methyl-ammonium tetra-aqua-(hydrogen-sulfato)-sulfato-cuprate(II).

Project description:In the title salt, [(CH3)2NH2][Cu(HSO4)(SO4)(H2O)4], one type of cation and anion is present in the asymmetric unit. The Cu(II) atom in the complex anion, [Cu(HSO4)(SO4)(H2O)4](-), has a tetra-gonal bipyramidal [4 + 2] coordination caused by a Jahn-Teller distortion, with the aqua ligands in equatorial and two O atoms of tetra-hedral HSO4 and SO4 units in apical positions. Both types of ions form sheets parallel to (010). The inter-connection within and between the sheets is reinforced by O-H?O and N-H?O hydrogen bonds, respectively, involving the water mol-ecules, the two types of sulfate anions and the ammonium groups.

| S-EPMC3998589 | biostudies-literature

Dipotassium tetra-aqua-bis-[3,5-bis-(dicyano-methyl-ene)cyclo-pentane-1,2,4-trionato(1-)-?N]cobaltate(II).

Project description:The title structure, K(2)[Co(C(11)N(4)O(3))(2)(H(2)O)(4)], is isotypic with K(2)[Fe(C(11)N(4)O(3))(2)(H(2)O)(4)]. The Co(II) atom is in a distorted octa-hedral CoN(2)O(4) geometry, forming a dianionic mononuclear entity. Each dianionic unit is associated with two potassium cations and inter-acts with adjacent units through O-H?N and O-H?O hydrogen bonds.

| S-EPMC3011486 | biostudies-literature

Crystal structure and Hirshfeld surface analysis of bis-(2,6-di-amino-pyridinium) tetra-chlorido-cobaltate(II).

Project description:In the title mol-ecular salt, (C5H8N3)2[CoCl4], the cations are protonated at their pyridine N atoms and the anion is an almost regular tetra-hedron. The crystal structure consists of alternating inorganic layers, built from tetra-chlorido-cobaltate anions, and organic layers formed by protonated cations of 2,6-di-amino-pyridinium. The crystal packing is governed by C/N-H⋯Cl hydrogen-bonding inter-actions between the organic and the inorganic ions and Cl⋯Cl inter-actions. Moreover, the cations show a π-π stacking inter-action [inter-centroid distance = 3.763 (2) Å]. The prevalence of these inter-actions is illustrated by an analysis of the three-dimensional Hirshfeld surface and by two-dimensional fingerprint plots.

| S-EPMC5946962 | biostudies-literature

Crystal structure of bis-(di-methyl-ammonium) hexa-aqua-cobalt(II) bis-(sulfate) dihydrate.

Project description:The title salt, (C2H8N)2[Co(H2O)6)](SO4)2·2H2O, is isotypic with (C2H8N)2[Ni(H2O)6)](SO4)2·2H2O. The Co-O bond lengths in the [Co(H2O)6](2+) complex cation show very similar distances as in the related Tutton salt (NH4)2[Co(H2O)6)](SO4)2 [average 2.093?(17)?Å], but are significantly longer than in the isotypic Ni(II) compound (?d ? 0.04?Å). The cobalt cation reaches an overall bond-valence sum of 1.97 valence units. The S-O distances are nearly equal, ranging from 1.454?(4) to 1.470?(3)?Å [mean 1.465?(12)?Å]; however, the O-S-O angles vary clearly from 108.1?(2) to 110.2?(2)° [average bond angle 109.5?(9)°]. The non-coordinating water mol-ecules and di-methyl-ammonium cations connect the sulfate tetrahedra and the [Co(H2O)6](2+) octa-hedron via O-H?O and N-H?O hydrogen bonds of weak up to medium strength into a three-dimensional framework whereby the complex metal cations and sulfate anions are arranged in sheets parallel to (001).

| S-EPMC4438788 | 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