Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(4-amino-3,5-di-2-pyridyl-1,2,4-triazole-κN,N)diaqua-zinc(II) dinitrate.

ABSTRACT: The asymmetric unit of the title compound, [Zn(C(12)H(10)N(6))(2)(H(2)O)(2)](NO(3))(2), contains one-half of the complex molecule and one NO(3) (-) anion. The Zn(II) ion displays a distorted tetra-gonal-pyramidal geometry with four N atoms from two chelating 4-amino-3,5-di-2-pyridyl-1,2,4-triazole (2-bpt) lig-ands in the basal plane and one water mol-ecule occupying the apical site. Another water mol-ecule at the opposite of the apical site has a weak inter-action with the Zn(II) ion [Zn-O = 2.852 (5) Å]. The Zn(II) ion and the two water mol-ecules lie on a twofold rotation axis. An extensive system of hydrogen bonds involving the NH(2) groups of the 2-bpt ligands, water mol-ecules and nitrate anions links all residues into a three-dimensional network.

SUBMITTER: Hua J

PROVIDER: S-EPMC2969943 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Bis(4-amino-3,5-di-2-pyridyl-4H-1,2,4-triazole)diaquanickel(II) bis(perchlorate).

Project description:In the mol-ecular structure of the centrosymmetric mononuclear complex [Ni(2-bpt)(2)(H(2)O)(2)](ClO(4))(2) [2-bpt = 4-amino-3,5-di-2-pyridyl-1,2,4-triazole, (C(12)H(10)N(6))], the central Ni(II) atom is six-coordinated by a pair of chelating 2-bpt ligands and two water mol-ecules. Inter-molecular O-H⋯N inter-actions link the monomeric units into a two-dimensional hydrogen-bonded (4,4) network, which is extended to a three-dimensional supra-molecular aggregate via π⋯π stacking inter-actions [centroid-centroid distances 3.809 (3) and 3.499 (3) Å].

| S-EPMC2977572 | biostudies-literature

Bis[(1S,1'S)-1,1'-(4-amino-4H-1,2,4-triazole-3,5-di-yl)diethanol-κN]bis-(nitrato-κO)zinc.

Project description:In the title homochiral mononuclear compound, [Zn(NO(3))(2)(C(6)H(12)N(4)O(2))(2)], the Zn(II) atom is located on a twofold rotation axis and coordinated by two N atoms from two ligands and two O atoms from two NO(3) (-) anions, adopting a distorted tetra-hedral coordination geometry. The compound is enanti-omerically pure and corresponds to the S diastereoisomer, with the optical activity originating from the chiral ligand. In the crystal, mol-ecules are connected into three-dimensional supra-molecular networks through O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds.

| S-EPMC3274914 | biostudies-literature

Tetra-aqua-bis(3,5-di-4-pyridyl-1,2,4-triazolato-κN)cobalt(II) dihydrate.

Project description:The Co(II) atom in the title compound, [Co(C(12)H(8)N(5))(2)(H(2)O)(4)]·2H(2)O, lies on a center of inversion and is bonded to two N-heterocycles and to four water mol-ecules in a slightly distorted octahedral coordination. The coordinated and lattice water mol-ecules inter-act with the N-heterocycles through O-H⋯N hydrogen bonds, generating a three-dimensional supra-molecular architecture.

| S-EPMC2977553 | biostudies-literature

4-Amino-3,5-di-2-pyridyl-4H-1,2,4-triazole.

Project description:In the crystal structure of the title compound, C(12)H(10)N(6), the mol-ecules deviate slightly from planarity. The plane of the central triazole ring makes angles of 6.13 (9) and 3.28 (10)° with the pyridyl ring planes. Intra-molecular N-H⋯N inter-actions form six-membered closed rings. The crystal packing also shows weak C-H⋯π and C-H⋯N inter-actions.

| S-EPMC2960509 | biostudies-literature

Bis[triaqua-(1H-1,2,4-triazole-3,5-dicarboxyl-ato-?O,N)copper(II)] di-?-aqua-bis-[diaqua-(1H-1,2,4-triazole-3,5-dicarboxyl-ato-?O,N)copper(II)].

Project description:In the title compound, [Cu(C(4)HN(3)O(4))(H(2)O)(3)](2)[Cu(2)(C(4)HN(3)O(4))(2)(H(2)O)(6)], both monomeric and dimeric mol-ecules are present in the solid state. In the monomeric compound, the Cu(II) atom is five-coordinated in a square-pyramidal configuration by one O atom and one N atom from one 1H-1,2,4-triazole-3,5-dicarboxyl-ate (TZDCA(2-)) ligand and three O atoms from water mol-ecules. In the centrosymmetric binuclear complex, each Cu(II) atom is six-coordinated in an octa-hedral geometry by one O atom and one N atom from one TZDCA(2-) ligand and four O atoms from water mol-ecules, two of which bridge the Cu(II) atoms. In the structure, there are intra-molecular O-H?O and N-H?O hydrogen bonds, and in the crystal, inter-molecular O-H?O, O-H?N and N-H?O hydrogen bonds link symmetry-related mol-ecules, forming a three-dimensional supra-molecular structure.

| S-EPMC2977176 | biostudies-literature

Di-μ-chlorido-bis-{[4-amino-3,5-bis-(2-pyrid-yl)-4H-1,2,4-triazole-κN]chloridomercury(II)}.

Project description:In the centrosymmetric binuclear title complex, [Hg(2)Cl(4)(C(12)H(10)N(6))(2)], the Hg(II) ion is five-coordinated by two N atoms and three chloride ions with a distorted square-pyramidal geometry. In the complex, there is an intra-molecular N-H⋯N hydrogen bond. In the crystal, the binuclear units are connected by inter-molecular N-H⋯Cl hydrogen bonds, as well as π-π stacking inter-actions [centroid-centroid distances = 3.526 (2) and 3.696 (2) Å], forming a two-dimensional layered structure parallel to (010).

| S-EPMC3200639 | biostudies-literature

Diaqua-[3,5-bis-(4-pyrid-yl)-1H-1,2,4-triazole-κN](pyridine-2,6-dicarboxyl-ato-κO,N,O)nickel(II).

Project description:In the title compound, [Ni(C(7)H(3)NO(4))(C(12)H(9)N(5))(H(2)O)(2)], the Ni(II) atom is coordinated in a distorted octa-hedral geometry by one N and two O atoms from a pyridine-2,6-dicarboxyl-ate ligand, one N atom from a 3,5-bis-(4-pyrid-yl)-1H-1,2,4-triazole ligand in equatorial positions and two water mol-ecules in axial positions. The crystal packing is consolidated by inter-molecular O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds.

| S-EPMC3051425 | biostudies-literature

Di-μ-aqua-bis-[diaqua-bis(thio-cyanato-κN)iron(II)] 4-(4-chloro-phen-yl)-1,2,4-triazole hexa-solvate.

Project description:The title complex, [Fe(2)(NCS)(4)(H(2)O)(6)]·6C(8)H(6)ClN(3), comprises two distorted octa-hedral iron(II) centers straddling a crystallographic inversion center and bridged by two aqua O atoms to form a quadrilateral core. The aqua O atom of the core is involved in hydrogen bonds with the triazole N atoms of the solvent mol-ecules, generating one-dimensional ladder motifs, and three inter-molecular C-H⋯S hydrogen bonds, forming a three-dimensional hydrogen-bonding network.

| S-EPMC2961922 | biostudies-literature

Diaqua-bis(2,5-di-4-pyridyl-1,3,4-thia-diazole-κN)bis-(thio-cyanato-κN)copper(II) dihydrate.

Project description:In the title compound, [Cu(NCS)(2)(C(12)H(8)N(4)S)(2)(H(2)O)(2)]·2H(2)O, the Cu atom is located on an inversion center and displays an octa-hedral geometry. Two N atoms of two different 2,5-di-4-pyridyl-1,3,4-thia-diazole ligands and two N atoms from two separate thio-cyanate mol-ecules form the equatorial plane, while two coordinated water mol-ecules are in axial positions. The crystal structure is consolidated by extensive hydrogen bonding, forming a two-dimensional network.

| S-EPMC2961085 | biostudies-literature

Bis[4-(4-methoxy-phen-yl)-4H-1,2,4-triazole-κN]bis-(thio-cyanato-κN)zinc(II).

Project description:In the title complex, [Zn(NCS)(2)(C(9)H(9)N(3)O)(2)], the Zn(II) ion is coordinated by two N atoms from the NCS(-) anions and two N atoms from two 4-(4-methoxy-phen-yl)-4H-1,2,4-triazole ligands in a slightly distorted tetra-hedral geometry. Three inter-molecular weak hydrogen-bonding contacts of the types C-H⋯N, C-H⋯S and C-H⋯O are observed in the crystal structure.

| S-EPMC2961330 | 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