Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Diaqua-bis-{5-(pyridin-2-yl-?N)-3-[4-(pyridin-4-yl)phen-yl]-1H-1,2,4-triazol-1-ido-?N (1)}cobalt(II).

ABSTRACT: In the centrosymmetic title complex, [Co(C18H12N5)2(H2O)2], the Co(II) ion is coordinated by two N,N'-bidentate 5-(pyridin-2-yl)-3-[4-(pyridin-4-yl)phen-yl]-1H-1,2,4-triazol-1-ide ligands and two water mol-ecules in a trans-CoO2N4 coordination geometry. In the ligand, the dihedral angles between the triazole ring and its adjacent pyridine and benzene rings are 5.57?(14) and 6.89?(16)°, respectively. In the crystal, mol-ecules are linked by O-H?N hydrogen bonds, generating a three-dimensional network.

SUBMITTER: Li B

PROVIDER: S-EPMC3588412 | biostudies-literature | 2013 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Diaqua-bis-{5-(pyridin-2-yl-κN)-3-[4-(pyridin-4-yl)phen-yl]-1H-1,2,4-triazol-1-ido-κN (1)}cobalt(II).

Li Bin B

Acta crystallographica. Section E, Structure reports online 20130206 Pt 3

In the centrosymmetic title complex, [Co(C18H12N5)2(H2O)2], the Co(II) ion is coordinated by two N,N'-bidentate 5-(pyridin-2-yl)-3-[4-(pyridin-4-yl)phen-yl]-1H-1,2,4-triazol-1-ide ligands and two water mol-ecules in a trans-CoO2N4 coordination geometry. In the ligand, the dihedral angles between the triazole ring and its adjacent pyridine and benzene rings are 5.57 (14) and 6.89 (16)°, respectively. In the crystal, mol-ecules are linked by O-H⋯N hydrogen bonds, generating a three-dimensional net ...[more]

PMID: 23476489

Similar Datasets

Diaqua-bis-{5-(pyridin-2-yl-?N)-3-[4-(pyridin-4-yl)phen-yl]-1H-1,2,4-triazol-1-ido-?N (1)}iron(II).

Project description:In the centrosymmetric title complex, [Fe(C18H12N5)2(H2O)2], the Fe(II) ion, lying on an inversion centre, is coordinated by two N,N'-bidentate 5-(pyridin-2-yl)-3-[4-(pyridin-4-yl)phen-yl]-1H-1,2,4-triazol-1-ide ligands and two water mol-ecules in a trans-FeO2N4 geometry. In the ligand, the triazole ring makes dihedral angles of 5.21?(18) and 6.7?(2)°, respectively, with the adjacent pyridine and benzene rings. In the crystal, mol-ecules are linked by O-H?N hydrogen bonds, generating a three-dimensional network.

| S-EPMC3588513 | biostudies-literature

Diaqua-bis-[5-(pyrazin-2-yl)-3-(pyridin-4-yl)-1H-1,2,4-triazol-1-ido-κN]zinc.

Project description:The title mononuclear complex, [Zn(C(11)H(7)N(6))(2)(H(2)O)(2)], is composed of one Zn(II) ion, two deprotonated ppt ligands [Hppt = 5-(pyrazin-2-yl)-3-(pyridin-4-yl)-1H-1,2,4-triazole] and two coordinating water mol-ecules. The asymmetric unit consists of one half-mol-ecule that is completed by application of a centre of symmetry. The Zn(II) atom is six-coordinated in an octa-hedral environment, surrounded by two O atoms in the axial positions and four N atoms in the equatorial plane. Adjacent mononuclear units are further linked via O-H⋯N hydrogen-bonding inter-actions, forming a two-dimensional network along (100).

| S-EPMC3274922 | biostudies-literature

Diaqua-bis-[5-(pyrazin-2-yl-?N(1))-3-(pyridin-4-yl)-1H-1,2,4-triazol-1-ido-?N(1)]cobalt(II) methanol disolvate.

Project description:The Co(II) ion in the title mononuclear compound, [Co(C(11)H(7)N(6))(2)(H(2)O)(2)]·2CH(3)OH, is located on an inversion center and is six-coordinated in a distorted octa-hedral geometry defined by four N atoms from two deprotonated 5-(pyrazin-2-yl-?N)-3-(pyridin-4-yl)-1H-1,2,4-triazol-1-ide (ppt) ligands and two water mol-ecules. In the crystal, the complex mol-ecules and lattice methanol mol-ecules are linked via O-H?N and O-H?O hydrogen bonds, generating a two-dimensional supra-molecular network parallel to (001). ?-? inter-actions between the triazole and pyrazine rings and between the pyridine rings are present [centroid-centroid distances = 3.686?(3) and 3.929?(4)?Å, respectively].

| S-EPMC3344341 | biostudies-literature

Diaqua-bis-{3-[4-(1H-imidazol-1-yl)phenyl]-5-(pyridin-2-yl-κN)-1H-1,2,4-triazol-1-ido-κN(1)}zinc.

Project description:The centrosymmetric mol-ecule of the title compound, [Zn(C(16)H(11)N(6))(2)(H(2)O)(2)], contains one Zn(2+) ion located on a center of symmetry, two 3-[4-(1H-imidazol-1-yl)phen-yl]-5-(pyridin-2-yl)-1H-1,2,4-triazol-1-ide (Ippyt) ligands and two coordinating water mol-ecules. The Zn(II) ion is six-coordinated in a distorted octa-hedral coordination geometry by four N atoms from two Ippyt ligands and by two O atoms from two water mol-ecules. Adjacent units are inter-connected though O-H⋯N hydrogen bonds, forming a three-dimensional network.

| S-EPMC3435604 | biostudies-literature

Diaqua-bis-{5-(pyridin-2-yl-κN)-3-[4-(pyri-din-4-yl)phenyl]-1H-1,2,4-triazol-1-ido-κN (1)}zinc.

Project description:The asymmetric unit of the title compound, [Zn(C18H12N5)2(H2O)2], consists a Zn(II) ion, located on an inversion center, a deprotonated 5-pyridin-2-yl-3-[4-(pyridin-4-yl)phen-yl]-1H-1,2,4-triazol-1-ido ligand and a water mol-ecule. The whole mol-ecule is generated by inversion symmetry. The Zn(II) ion has a distorted octa-hedral coordination geometry, defined by four N atoms from the two deprotonated organic ligands and two water O atoms. In the crystal, O-H⋯N hydrogen bonds link the mol-ecules, forming a three-dimensional network.

| S-EPMC3629490 | biostudies-literature

Diaqua-bis-[1,2-bis-(pyridin-4-yl)ethene]-bis-[2-(4-carboxy-phen-yl)acetato]-cobalt(II).

Project description:The asymmetric unit of the title compound, [Co(C(9)H(7)O(4))(2)(C(12)H(10)N(2))(2)(H(2)O)(2)], consists of one Co(2+) ion, one mono-deprotonated 2-(4-carboxyl-atophen-yl)acetate carboxylic acid, one 1,2-bis-(pyridin-4-yl)ethane mol-ecule and one water mol-ecule. The Co(II) atom is situated on a crystallographic center of inversion and is octa-hedrally coordinated by two O atoms from two anions, two N atoms of two 1,2-bis-(pyridin-4-yl)ethane mol-ecules and two O atoms from two water mol-ecules. A three-dimensional network is established by inter-molecular O-H?O and O-H?N hydrogen bonds.

| S-EPMC3152052 | biostudies-literature

Bis[3-(pyrazin-2-yl)-5-(pyridin-2-yl-?N)-1,2,4-triazol-1-ido-?N(1)]copper(II).

Project description:In the mononuclear title complex, [Cu(C(11)H(7)N(6))(2)], the Cu(II) atom lies on a crystallographic inversion centre and is coordinated by four N atoms from two bidentate chelate monoanionic 3-(pyrazin-2-yl)-5-(pyridin-2-yl-1,2,4-triazol-1-ido ligands, two from the triazolide rings [Cu-N = 1.969?(2)?Å] and two from the pyridine rings [Cu-N = 2.027?(2)?Å], giving a slightly distorted square-planar geometry.

| S-EPMC3344390 | biostudies-literature

2-(5-{6-[5-(Pyrazin-2-yl)-1H-1,2,4-triazol-3-yl]pyridin-2-yl}-1H-1,2,4-triazol-3-yl)pyrazine.

Project description:In the title mol-ecule, C(17)H(11)N(11), the five rings are almost coplanar [maxium deviation 0.1949 (1) Å]. The dihedral angles between the two pyrazine rings and the two triazole rings are 1.52 (4) and 2.51 (5)°, respectively. The central pyridine ring forms dihedral angles of 5.57 (1) and 1.71 (1)° with the two triazole rings. The crystal packing consists of a three-dimensional network structure generated by inter-molecular N-H⋯N hydrogen bonds. The crystal structure is further consolidated by π-π stacking [centroid-to-centroid distances 3.599 (10) and 4.769 (13) Å].

| S-EPMC3200783 | biostudies-literature

Diaqua-bis-[2,6-bis-(4H-1,2,4-triazol-4-yl)pyridine-?N(2)]bis-(seleno-cyanato-?N)cobalt(II).

Project description:In the title compound, [Co(NCSe)(2)(C(9)H(7)N(7))(2)(H(2)O)(2)], the Co(2+) cation is coordinated by two seleno-cyanate anions, two 2,6-bis-(4H-1,2,4-triazol-4-yl)pyridine ligands and two water mol-ecules within a slightly distorted N(4)O(2) octa-hedron. The asymmetric unit consists of one Co(2+) cation, which is located on a center of inversion, as well as one seleno-cyanate anion, one 2,6-bis-(4H-1,2,4-triazol-4-yl)pyridine ligand and one water mol-ecule in general positions. Inter-molecular O-H?N hydrogen bonds join the complex mol-ecules into layers parallel to the bc plane. The layers are linked by C-H?N and C-H?Se hydrogen bonds into a three-dimensional supra-molecular architecture.

| S-EPMC3414148 | biostudies-literature

3-Pyridin-2-yl-1H-1,2,4-triazol-5-amine.

Project description:In the title compound, C(7)H(7)N(5), the non-H atoms are almost coplanar (r.m.s. deviation = 0.050?Å), with the N atom of pyridine ring oriented to the N-N(H) side of the 1,2,4-triazole ring. The mean planes of the pyridine and 1,2,4-triazole rings form a dihedral angle of 5.58?(7)°. The N atom of the amino group adopts a pyramidal configuration. The mol-ecules are linked into a two-dimensional network parallel to (10) by N-H?N hydrogen bonds.

| S-EPMC2968045 | 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