Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(2,6-diamino-pyridin-1-ium) hexa-aqua-cobalt(II) disulfate dihydrate.

ABSTRACT: In the title compound, (C(5)H(8)N(3))(2)[Co(H(2)O)(6)](SO(4))(2)·2H(2)O, the complete complex cation is generated by crystallographic inversion symmetry, such that the Co(II) cation is octa-hedrally coordinated by six water mol-ecules. The organic cation is essentially planar, with a maximum deviation of 0.013?(1)?Å. In the crystal structure, the ions and mol-ecules are linked into a pseudo-layered three-dimensional supra-molecular network via O-H?O and N-H?O hydrogen bonds. Weak inter-molecular ?-? inter-actions further stabilize the crystal structure [centroid-centroid distance = 3.5231?(4)?Å].

SUBMITTER: Al-Dajani MT

PROVIDER: S-EPMC3007492 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis(2,6-diamino-pyridin-1-ium) hexa-aqua-cobalt(II) disulfate dihydrate.

Al-Dajani Mohammad T M MT Wahab Habibah A HA Mohamed Nornisah N Goh Jia Hao JH Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20100710 Pt 8

In the title compound, (C(5)H(8)N(3))(2)[Co(H(2)O)(6)](SO(4))(2)·2H(2)O, the complete complex cation is generated by crystallographic inversion symmetry, such that the Co(II) cation is octa-hedrally coordinated by six water mol-ecules. The organic cation is essentially planar, with a maximum deviation of 0.013 (1) Å. In the crystal structure, the ions and mol-ecules are linked into a pseudo-layered three-dimensional supra-molecular network via O-H⋯O and N-H⋯O hydrogen bonds. Weak inter-molecular ...[more]

PMID: 21588154

Similar Datasets

Bis(2-amino-4-methyl-pyrimidin-1-ium) hexa-aqua-cobalt(II) disulfate dihydrate.

Project description:In the title hydrated mixed-cation salt, (C(5)H(8)N(3))(2)[Co(H(2)O)(6)](SO(4))(2)·2H(2)O, the complete octa-hedral hexa-aqua complex cation is generated by crystallographic inversion symmetry. In the crystal, the components are linked by O-H?O and N-H?O hydrogen bonds, the latter, involving pyrimidinium cations and sulfate anions, generating R(2) (2)(8) loops. These, together with ?-? inter-actions between centrosymmetrically related pyrimidinium cations [centroid-centroid separation = 3.5460?(8)?Å], lead to the formation of a three-dimensional network.

| S-EPMC3569216 | biostudies-literature

Tetra-aqua-bis-(piperazin-1-ium)cobalt(II) bis-(sulfate) dihydrate.

Project description:In the centrosymmetric title compound, [Co(C4H11N2)2(H2O)4](SO4)2·2H2O, the Co(II) atom is coordinated in a distorted octa-hedral geometry by four water O atoms and two piperazinium N atoms. These four water O atoms define an equatorial plane with a maximum deviation of 0.0384 (1) Å while the two piperazinium N atoms complete the octa-hedron in the axial positions. Neighboring complex mol-ecules and sulfate anions are connected through an extensive network of N-H⋯O and O-H⋯O hydrogen bonds, which link the different chemical species into layers in the ab plane. Additional Owater-H⋯O hydrogen bonds involving the non-coordinating water mol-ecules and C-H⋯O inter-actions connect these layers into a three-dimensional supra-molecular structure.

| S-EPMC3884988 | 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 π-π stacking between (pydc)(2-) ligands with an inter-planar distance of 3.484 (15) Å.

| S-EPMC2915120 | 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 (Δd ≃ 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

Hexaaqua-cobalt(II) tetra-aqua-bis(2-amino-pyrazine-?N)cobalt(II) disulfate dihydrate.

Project description:The reaction of cobalt(II) sulfate and 2-amino-pyrazine affords the title salt, [Co(H(2)O)(6)][Co(C(4)H(5)N(3))(2)(H(2)O)(4)](SO(4))(2)·2H(2)O. The metal atoms in the tetra-aqua-coordinated and hexa-aqua-coordinated complex cations lie on centers of inversion in slightly distorted octa-hedral geometries. The cations, anions and solvent water mol-ecules are linked by O-H?O, O-H?N and N-H?O hydrogen bonds into a three-dimensional network.

| S-EPMC2971832 | biostudies-other

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

2,6-Diamino-4-oxo-3,4-dihydropyrim-idin-1-ium chloride dihydrate.

Project description:In the crystal structure of the title compound, C(4)H(7)N(4)O(+)·Cl(-)·2H(2)O, adjacent cations are connected to one another through N-H⋯O hydrogen bonds, forming infinite chains along the b axis. These chains are further hydrogen bonded to the chloride anions and water mol-ecules, resulting in a three-dimensional network. The pyrimidine rings of adjacent mol-ecules are arranged in an anti-parallel manner above each other with centroid-centroid distances of 3.435 (1) Å, indicative of π-π inter-actions.

| S-EPMC3007964 | biostudies-literature

Bis(2,6-diamino-4-chloro-pyrimidin-1-ium) fumarate.

Project description:In the title salt, 2C4H6ClN4(+)·C4H2O4(2-), the complete fumarate dianion is generated by crystallographic inversion symmetry. The cation is essentially planar, with a maximum deviation of 0.018 (1) Å. In the anion, the carboxyl-ate group is twisted slightly away from the attached plane, the dihedral angle between the carboxyl-ate and (E)-but-2-ene planes being 12.78 (13)°. In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl-ate O atoms of the anion via a pair of N-H⋯O hydrogen bonds, forming an R2(2)(8) ring motif. In addition, another type of R2(2)(8) motif is formed by centrosymmetrically related pyrimidinium cations via N-H⋯N hydrogen bonds. These two combined motifs form a heterotetra-mer. The crystal structure is further stabilized by stong N-H⋯O, N-H⋯Cl and weak C-H⋯O hydrogen bonds, resulting a three-dimensional network.

| S-EPMC3588928 | biostudies-literature

Bis(2,6-diamino-3,5-dibromo-pyridinium) hexa-bromidostannate(IV).

Project description:The asymmetric unit of the title compound, (C(5)H(6)Br(2)N(3))(2)[SnBr(6)], contains one cation and one half-anion in which the Sn atom is located on a crystallographic centre of inversion and is in a quasi-octa-hedral geometry. The crystal structure is assembled via hydrogen-bonding inter-actions of two kinds, N(pyridine/amine)-H⋯Br-Sn, along with C-Br⋯Br-Sn interactions [3.4925 (19) Å]. The cations are involved in π-π stacking, which adds an extra supra-molecularity as it presents a strong case of offset-face-to-face motifs [centroid-centroid distance = 3.577 (3) Å]. The inter-molecular hydrogen bonds, short Br⋯Br inter-actions and π-π stacking result in the formation of a three-dimensional supra-molecular architecture.

| S-EPMC2977624 | biostudies-literature

Tetra-aqua-bis(orotato-?O)cobalt(II) dihydrate.

Project description:In the title Co(II) complex, [Co(C(5)H(3)N(2)O(4))(2)(H(2)O)(4)]·2H(2)O, the Co(II) ion is located on an inversion center and is coordinated by two orotate (2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate) anions and four water mol-ecules in a slightly distorted octa-hedral geometry. The dihedral angle between the carboxyl-ate group and the attached orotate ring is 1.2?(3)°. In the crystal structure, inter-molecular O-H?O, N-H?O and C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network. ?-? contacts between the orotate rings [centroid-centroid distances = 3.439?(2) and 3.438?(2)?Å] further stabilize the structure.

| S-EPMC2979368 | 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