Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Triaqua-dichlorido[5-(4-pyridinio)tetra-zolato-?N]cobalt(II) monohydrate.

ABSTRACT: The title compound, [CoCl(2)(C(6)H(5)N(5))(H(2)O)(3)]·H(2)O, was synthesized by hydro-thermal reaction of CoCl(2) with 4-(2H-tetra-zol-5-yl)pyridine. The Co(II) cation is coordinated by two Cl(-) ions, one N atom from the 5-(4-pyridinio)tetra-zolate zwitterion and three O atoms from three water mol-ecules in a distorted octa-hedral geometry. In the crystal, mol-ecules are linked into a three-dimensional network by N-H?Cl hydrogen bonds and O-H?O/N/Cl hydrogen bonds involv-ing both coordinated and uncoordinated water mol-ecules. Strong ?-? stacking is present between parallel pyridinium and tetra-zolate rings [centroid-centroid distances = 3.411?(2) and 3.436?(2)?Å].

SUBMITTER: Wang B

PROVIDER: S-EPMC2977361 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Triaqua-dichlorido[5-(4-pyridinio)tetra-zolato-κN]cobalt(II) monohydrate.

Wang Bo B

Acta crystallographica. Section E, Structure reports online 20090701 Pt 8

The title compound, [CoCl(2)(C(6)H(5)N(5))(H(2)O)(3)]·H(2)O, was synthesized by hydro-thermal reaction of CoCl(2) with 4-(2H-tetra-zol-5-yl)pyridine. The Co(II) cation is coordinated by two Cl(-) ions, one N atom from the 5-(4-pyridinio)tetra-zolate zwitterion and three O atoms from three water mol-ecules in a distorted octa-hedral geometry. In the crystal, mol-ecules are linked into a three-dimensional network by N-H⋯Cl hydrogen bonds and O-H⋯O/N/Cl hydrogen bonds involv-ing both coordinated an ...[more]

PMID: 21583322

Similar Datasets

Diaqua-dichlorido[5-(3-pyridinio)tetra-zolato-?N]copper(II) dihydrate.

Project description:The title compound, [CuCl(2)(C(6)H(5)N(5))(2)(H(2)O)(2)]·2H(2)O, was synthesized by hydro-thermal reaction of CuCl(2) with 3-(2H-tetra-zol-5-yl)pyridine. The Cu(II) cation, located on an inversion center, is coordinated by two Cl(-) ions, two N atoms from two 5-(3-pyridinio)tetra-zolate zwitterions and two O atoms from two water mol-ecules in a distorted octa-hedral geometry. In the crystal, mol-ecules are linked into a two-dimensional sheet parallel to (001) by N-H?N, O-H?N, O-H?O and O-H?Cl hydrogen bonds involving the pyridinium N atom, the Cl atoms and the coordinated and free water mol-ecules. The latter are disordered over two positions in a 0.54:0.46 ratio.

| S-EPMC2970193 | biostudies-other

Bis[?-5-(2-pyrid-yl)tetra-zolato]-?N,N:N;?N:N,N-bis-[triaqua-zinc(II)] bis-(trifluoro-acetate) monohydrate.

Project description:The title compound, [Zn(2)(C(6)H(4)N(5))(2)(H(2)O)(6)](CF(3)CO(2))(2)·H(2)O, was synthesized by hydro-thermal reaction of ZnBr(2), CF(3)COOH and 2-(2H-tetra-zol-5-yl)pyridine. The Zn(II) cation is coordinated by one N atom from the 5-(2-pyrid-yl)tetra-zolate anion, two N atoms from another 5-(2-pyrid-yl)tetra-zolate anion and three O atoms from three water mol-ecules in a distorted octa-hedral geometry. The tetra-zole ligands bridge the metal ions of the dimeric structure, and the dimers are located on crystallographic inversion centers. An inter-stitial solvent water mol-ecule is located on a crystallographic mirror plane, and the CF(3)COO(-) counter-anions are also not coordinated to the metal complex. The F atoms of the anions are disordered with the F atoms statistically distributed over two positions in a 0.56?(3)/0.44?(3) ratio. All the water H atoms are involved in O-H?N and O-H?O hydrogen bonds with uncoordinated water O atoms, carboxyl-ate O atoms and tetra-zole N atoms. The inter-actions link the mol-ecules into a three-dimensional network.

| S-EPMC2977136 | biostudies-literature

Triaqua-chlorido(1,10-phenanthroline-κN,N')cobalt(II) chloride monohydrate.

Project description:In the title compound, [CoCl(C(12)H(8)N(2))(H(2)O)(3)]Cl·H(2)O, the Co(II) ion is coordinated by two N atoms from the 1,10-phenanthroline ligand [Co-N = 2.125 (6) and 2.146 (6) Å], one chloride ligand [Co-Cl = 2.459 (2)Å] and three water mol-ecules [Co-O = 2.070 (5)-2.105 (5)Å] in a distorted octa-hedral geometry. Inter-molecular O-H⋯Cl and O-H⋯O hydrogen bonds form an extensive three-dimensional hydrogen-bonding network, which consolidates the crystal packing.

| S-EPMC2968016 | biostudies-literature

Tetra-kis(4-amino-pyridine-κN)dichlorido-copper(II) monohydrate.

Project description:The asymmetric unit of the title compound, [CuCl(2)(C(5)H(6)N(2))(4)]·H(2)O, contains two crystallographically independent complex mol-ecules and two water mol-ecules. The Cu(II) ion in each mol-ecule is six-coordinated in an elongated octa-hedral geometry, with the equatorial plane defined by four pyridine N atoms of four amino-pyridine ligands and the axial positions occupied by two Cl atoms. In the crystal structure, mol-ecules are linked into a three-dimensional framework by C-H⋯Cl, O-H⋯Cl, N-H⋯O, N-H⋯Cl and N-H⋯N hydrogen bonds and C/N-H⋯π inter-actions involving the pyridine rings.

| S-EPMC2961768 | biostudies-literature

Crystal structure of cis-tetra-aqua-dichlorido-cobalt(II) sulfolane disolvate.

Project description:In the title compound, [CoCl2(H2O)4]·2C4H8SO2, the Co(II) cation is located on the twofold rotation axis and is coordinated by four water mol-ecules and two adjacent chloride ligands in a slightly distorted octa-hedral coordination environment. The cisoid angles are in the range 83.27?(5)-99.66?(2)°. The three transoid angles deviate significantly from the ideal linear angle. The crystal packing can be described as a linear arrangement of complex units along c formed by bifurcated O-H?Cl hydrogen bonds between two water mol-ecules from one complex unit towards one chloride ligand of the neighbouring complex. Two solvent mol-ecules per complex are attached to this infinite chain via O-H?O hydrogen bonds in which water mol-ecules act as the hydrogen-bond donor and sulfolane O atoms as the hydrogen-bond acceptor sites.

| S-EPMC4384590 | biostudies-literature

Bis[μ-5-(5-carboxyl-ato-3-pyrid-yl)tetra-zolato-κN,N:N]bis-[triaqua-zinc(II)].

Project description:In the title complex, [Zn(2)(C(7)H(3)N(5)O(2))(2)(H(2)O)(6)], the 5-(5-carboxyl-ato-3-pyrid-yl)tetra-zolate ligand chelates the Zn(II) center through one pyridyl N and one tetra-zolate N atom, and uses another N atom to bridge to the second Zn atom, forming a centrosymmetric dinuclear unit. Three coordinated water mol-ecules complete the distorted octa-hedral geometry of the Zn(II) atom. O-H⋯O and O-H⋯N hydrogen bonds involving the coordinated water mol-ecules, tetra-zolate N atoms and the carboxyl-ate group result in a three-dimensional structure.

| S-EPMC2969057 | biostudies-literature

Triaqua-(7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato-?O,O,O)cobalt(II) monohydrate.

Project description:The title complex, [Co(C(8)H(8)O(5))(H(2)O)(3)]·H(2)O, was synthesized by reaction of cobalt acetate with 7-oxabicyclo-[2.2.1]heptane-2,3-dicarb-oxy-lic anhydride (norcantharidin) in aqueous solution. In the mol-ecule, the Co(II) atom is six-coordinated in a distorted octa-hedral environment, binding to the bridging O atom of the bicyclo-heptane unit, to two O atoms from monodentate carboxyl-ate groups and to three water O atoms. The crystal structure is stabilized by several O-H?O hydrogen-bonding inter-actions involving both the coordinated and uncoordinated water mol-ecules as donors and the carboxyl-ate O atoms of neighbouring mol-ecules as acceptors.

| S-EPMC3212185 | biostudies-literature

Triaqua-(3-carb-oxy-5-sulfonatobenzoato-κO)(1,10-phenanthroline-κN,N')cobalt(II) monohydrate.

Project description:In the title compound, [Co(C(8)H(4)O(7)S)(C(12)H(8)N(2))(H(2)O)(3)]·H(2)O, the Co(II) cation is coordinated by one sulfoisophthalate dianion, one bidentate phenathroline (phen) mol-ecule and three water mol-ecules in a distorted cis-CoN(2)O(4) octa-hedral geometry. In the crystal structure, aromatic π-π stacking occurs [centroid-centroid distances 3.7630 (14) and 3.7269 (15) Å], as well as an extensive O-H⋯O and C-H⋯O hydrogen-bonding network.

| S-EPMC2961914 | biostudies-literature

Tetra-kis(2-amino-pyrazine-?N)dichlorido-cobalt(II).

Project description:The Co(II) atom in the title complex, [CoCl(2)(C(4)H(5)N(3))(4)], exists in an all-trans Cl(2)N(4)Co octa-hedral geometry. The Co(II) atom lies on a special position of 2 site symmetry. Adjacent mol-ecules are linked by N-H?N and N-H?Cl hydrogen bonds into a three-dimensional network.

| S-EPMC2972178 | biostudies-other

Dichlorido[bis-(2-ethyl-5-methyl-1H-imidazol-4-yl-?N)methane]-cobalt(II) monohydrate.

Project description:In the title compound, [CoCl(2)(C(13)H(20)N(4))]·H(2)O, the Co(II) atom lies on a mirror plane and is four-coordinated by two N atoms of the imidazole ligand and two Cl atoms in a distorted tetra-hedral arrangement. The water mol-ecule participates in the formation of hydrogen bonds, resulting in a three dimensional network involving the Cl atoms and the NH groups. The terminal C atom of the ethyl group is disordered over two sites of equal occupancy.

| S-EPMC3089236 | 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