Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Di-aqua-bis-[5-(pyrazin-2-yl-κN (1))-3-(pyridin-3-yl)-1,2,4-triazolido-κN (1)]zinc.

ABSTRACT: In the title compound, [Zn(C11H7N6)2(H2O)2], the Zn(II) cation, located on an inversion center, is N,N'-chelated by two 5-(pyrazin-2-yl)-3-(pyridin-3-yl)-1,2,4-triazolide anions and is further coordinated by two water mol-ecules in a distorted N4O2 octa-hedral geometry. In the anionic ligand, the pyrazine and pyridine rings are twisted with respect to the central triazole ring by 5.77 (10) and 11.54 (10)°, respectively. In the crystal, classical O-H⋯N and weak C-H⋯O hydrogen bonds and π-π stacking inter-actions between aromatic rings [the centroid-centroid distances between triazole and pyrazine rings, and between triazole and pyridine rings are 3.623 (2) and 3.852 (2) Å, respectively] connect the mol-ecules into a three-dimensional supra-molecular architecture.

SUBMITTER: Wang YN

PROVIDER: S-EPMC3998535 | biostudies-literature | 2014 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Di-aqua-bis-[5-(pyrazin-2-yl-κN (1))-3-(pyridin-3-yl)-1,2,4-triazolido-κN (1)]zinc.

Wang Ye-Nan YN Dong Wen-Wen WW

Acta crystallographica. Section E, Structure reports online 20140305 Pt 4

In the title compound, [Zn(C11H7N6)2(H2O)2], the Zn(II) cation, located on an inversion center, is N,N'-chelated by two 5-(pyrazin-2-yl)-3-(pyridin-3-yl)-1,2,4-triazolide anions and is further coordinated by two water mol-ecules in a distorted N4O2 octa-hedral geometry. In the anionic ligand, the pyrazine and pyridine rings are twisted with respect to the central triazole ring by 5.77 (10) and 11.54 (10)°, respectively. In the crystal, classical O-H⋯N and weak C-H⋯O hydrogen bonds and π-π stacki ...[more]

PMID: 24826085

Similar Datasets

Diaqua-bis-[5-(pyrazin-2-yl-κN)-3-(pyridin-3-yl)-1,2,4-triazolido-κN]cadmium.

Project description:In the title compound, [Cd(C(11)H(7)N(6))(2)(H(2)O)(2)], the Cd(II) cation is located on an inversion center and is coordinated by four N atoms from two 5-(pyrazin-2-yl)-3-(pyridin-3-yl)-1,2,4-triazol-ide anions and two water mol-ecules in a distorted octa-hedral geometry. The triazolide ligand is nearly planar: the central triazole ring is oriented at dihedral angles of 4.63 (13) and 8.41 (13)° with respect to the pyrazine and pyridine rings. Inter-molecular O-H⋯N hydrogen bonds link the mol-ecules into a two-dimensional supra-molecular network parallel to (001).

| S-EPMC3238616 | 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

Bis[3-(pyrazin-2-yl)-5-(pyridin-2-yl-κN)-1,2,4-triazol-1-ido-κN(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

Tetra-aqua-bis(3,5-di-4-pyridyl-1H-1,2,4-triazolido)cadmium(II) dihydrate.

Project description:In the title compound, [Cd(C(12)H(8)N(5))(2)(H(2)O)(4)]·2H(2)O, the Cd(II) atom is located on an inversion center and is coordinated by the two N atoms [Cd-N = 2.278 (2) Å] and four O atoms [Cd-O = 2.304 (2)-2.322 (2) Å] in a distorted octa-hedral geometry. Inter-molecular O-H⋯O and O-H⋯N hydrogen bonds link the complex into a three-dimensional supra-molecular framework.

| S-EPMC2977399 | biostudies-literature

Tetra-aqua-bis-[2-(pyridin-4-yl-κN)pyrimidine-5-carboxyl-ato]zinc.

Project description:In the title complex, [Zn(C(10)H(6)N(3)O(2))(2)(H(2)O)(4)], the Zn(II) ion lies on an inversion center and is coordinated in a slightly distorted octa-hedral geometry by two N atoms from two 2-(pyridin-4-yl)pyrimidine-5-carboxyl-ate ligands and four water mol-ecules. In the symmetry-unique part of the mol-ecule, the pyridine and pyrimidine rings form a dihedral angle of 7.0 (1)°. In the crystal, the coordinating water mol-ecules act as donor groups and carboxyl-ate O atoms act as acceptors in O-H⋯O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3515163 | biostudies-literature

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

Tetra-aqua-bis[3-(3-pyrid-yl)-5-(4-pyrid-yl)-1,2,4-triazolido]nickel(II) dihydrate.

Project description:In the title compound, [Ni(C(12)H(8)N(5))(2)(H(2)O)(4)]·2H(2)O, the Ni(II) atom is coordinated by the two N atoms [Ni-N = 2.094 (3) Å] and four O atoms [Ni-O = 2.063 (3)-2.083 (2) Å] in a distorted octa-hedral geometry. The mol-ecule is centrosymmetric and the Ni(II) atom is located on an inversion center. Inter-molecular O-H⋯N and O-H⋯O hydrogen bonds link the complex into a three-dimensional supra-molecular framework.

| S-EPMC2971839 | biostudies-literature

Di-aqua-bis-{μ-1,5-bis-[(pyridin-2-yl)methyl-idene]carbonohydrazide(1-)}di-μ-chlorido-tetra-chlorido-tetra-zinc(II).

Project description:A tetra-nuclear ZnII complex, [Zn4(C13H11N6O)2Cl6(H2O)2] or {[Zn2(HL)(H2O)(Cl2)](μCl)2[Zn2(HL)(H2O)(Cl)]}2, was synthesized by mixing an equimolar amount of a methanol solution containing ZnCl2 and a methanol solution containing the ligand H2 L [1,5-bis-(pyridin-2-yl-methyl-ene)carbono-hydrazide]. In the tetra-nuclear complex, each of the two ligand mol-ecules forms a dinuclear unit that is connected to another dinuclear unit by two bridging chloride anions. In each dinuclear unit, one ZnII cation is penta-coordinated in a N2OCl2 in a distorted square-pyramidal geometry, while the other ZnII cation is hexa-coordinated in a N3OCl2 environment with a distorted octa-hedral geometry. The basal plane around the penta-coordinated ZnII cation is formed by one chloride anion, one oxygen atom, one imino nitro-gen atom and one pyridine nitro-gen atom with the apical position occupied by a chloride anion. The basal plane of the hexa-coordinated ZnII cation is formed by one chloride anion, one hydrazinyl nitro-gen atom, one imino nitro-gen atom and one pyridine nitro-gen atom with the apical positions occupied by a water oxygen atom and a bridged chloro anion from another dinuclear unit, leading to a tetra-nuclear complex. A series of intra-molecular C-H⋯Cl hydrogen bonds is observed in each tetra-nuclear unit. In the crystal, the tetra-nuclear units are connected by inter-molecular C-H⋯Cl, C-H⋯O and N-H⋯O hydrogen bonds, forming a planar two-dimensional structure in the ac plane.

| S-EPMC7405581 | 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

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