Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Diaqua-bis-[5-(2-pyridyl-meth-yl)tetra-zol-ato-?N,N]zinc(II).

ABSTRACT: In the title mononuclear complex, [Zn(C(7)H(6)N(5))(2)(H(2)O)(2)], the Zn(II) atom, located on an inversion centre, is in a distorted octa-hedral coordination geometry formed by four N atoms from two chelating 5-(2-pyridyl-meth-yl)tetra-zolate ligands and two O donors from two water mol-ecules. Inter-molecular O-H?N hydrogen bonds between the coordinated water mol-ecule and the tetra-zolyl group of the 5-(2-pyridyl-meth-yl)tetra-zolate ligand lead to the formation of a three-dimensional network.

SUBMITTER: Liu Y

PROVIDER: S-EPMC3120314 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Diaqua-bis-[5-(2-pyridyl-meth-yl)tetra-zol-ato-κN,N]zinc(II).

Liu Yang Y Li Ya-Ling YL Wang Xiu-Guang XG Yang En-Cui EC

Acta crystallographica. Section E, Structure reports online 20110528 Pt 6

In the title mononuclear complex, [Zn(C(7)H(6)N(5))(2)(H(2)O)(2)], the Zn(II) atom, located on an inversion centre, is in a distorted octa-hedral coordination geometry formed by four N atoms from two chelating 5-(2-pyridyl-meth-yl)tetra-zolate ligands and two O donors from two water mol-ecules. Inter-molecular O-H⋯N hydrogen bonds between the coordinated water mol-ecule and the tetra-zolyl group of the 5-(2-pyridyl-meth-yl)tetra-zolate ligand lead to the formation of a three-dimensional network. ...[more]

PMID: 21754679

Similar Datasets

Poly[diaqua-(?(4)-benzene-1,2,4,5-tetra-carboxyl-ato)[?(2)-1,4-bis-(3-pyridyl-meth-yl)piperazine]dizinc(II)].

Project description:In the title compound, [Zn(2)(C(10)H(2)O(8))(C(16)H(20)N(4))(H(2)O)(2)](n), the Zn(II) atom is in a distorted tetra-hedral environment, being coordinated by one N atom from a 1,4-bis-(3-pyridyl-meth-yl)piperazine (3-bpmp) ligand, two O atoms from two carboxyl-ate groups of the pyromellitate anion and one water mol-ecule. The distortion of the tetrahedral coordination may be ascribed to the hydrogen bonds between the carboxyl-ate groups and the adjacent water mol-ecules. Each Zn(II) atom links to three organic ligands and each pyromellitate ligand coordinates to four Zn(II) atoms, forming a (3,4)-connected infinite three-dimensional framework. O-H?N inter-actions also occur.

| S-EPMC3120526 | biostudies-literature

trans-Diaqua-bis{1,3-bis-[5-(2-pyrid-yl)-2H-tetra-zol-2-yl]propane}zinc(II) bis-(perchlorate).

Project description:The Zn(II) ion in the title compound, [Zn(C(15)H(14)N(10))(H(2)O)(2)](ClO(4))(2), lies on a centre of symmetry. The distorted N(4)O(2) octa-hedral coordination environment around the Zn atom is composed of two 1,3-bis-[5-(2-pyrid-yl)-2H-tetra-zol-2-yl]propane ligands (L1) and two water mol-ecules, coordinated in trans positions. The ligand acts as a typical bidentate chelating ligand through one of its 2-pyridyl-2H-tetra-zole units, forming a five-membered Zn-N-C-C-N metallacycle with a small N-Zn-N bite angle [77.40 (8)°]. The other 2-pyridyl-2H-tetra-zole unit remains uncoordinated. The average Zn-N distance (2.156 Å) is somewhat longer than the distance between the Zn(II) center and the aqua ligand [2.108 (2) Å]. The coordinated pyrid-yl-tetra-zoyl rings are quasi-coplanar, making a dihedral angle of 1.9 (2)°, while the uncoordinated rings show a larger inter-planar angle of 21.3 (2)°. The flexible propane spacer displays a zigzag chain. Inter-molecular O-H⋯N and O-H⋯O inter-actions result in two-dimensional polymeric structures parallel to (100). Two C atoms of the spacer are disordered over two positions, with site occupancy factors of ca 0.85 and 0.15.

| S-EPMC2960969 | biostudies-literature

Diaqua-bis{2-[5-(2-pyrid-yl)-2H-tetra-zol-2-yl]acetato-?N,N}zinc(II).

Project description:The title compound, [Zn(C(8)H(6)N(5)O(2))(2)(H(2)O)(2)], was synthesized by hydro-thermal reaction of ZnBr(2) with 2-[5-(2-pyrid-yl)-2H-tetra-zol-2-yl]acetic acid. The Zn(II) atom lies on an inversion center in a distorted octa-hedral environment with two planar trans-related N,N'-chelating 2-[5-(2-pyrid-yl)-2H-tetra-zol-2-yl]acetic acid ligands in the equatorial plane and two water mol-ecules in the axial positions. In the crystal, O-H?O hydrogen bonds generate an infinite three-dimensional network.

| S-EPMC2969273 | biostudies-literature

Diaqua-dimethano-lbis[4-(1H-tetra-zol-1-yl)benzoato]zinc(II) dihydrate.

Project description:In the title compound, [Zn(C(8)H(5)N(4)O(2))(2)(CH(3)OH)(2)(H(2)O)(2)]·2H(2)O, the Zn(II) ion lies on an inversion centre and is coordinated by two O atoms from two 4-(tetra-zol-1-yl)benzoate ligands, two O atoms from two methanol mol-ecules and two O atoms from two water mol-ecules in a slightly distorted octa-hedral geometry. In addition, there are two uncoordinated water mol-ecules in the crystal structure. The crystal structure is stabilized by inter-molecular O-H⋯O hydrogen bonds.

| S-EPMC2961137 | biostudies-literature

Diaqua-bis(cyclo-hexa-necarboxyl-ato)zinc(II) monohydrate.

Project description:In the title compound, [Zn(C(7)H(11)O(2))(2)(H(2)O)(2)]·H(2)O, the Zn(II) atom (site symmetry ) is four-coordinated by two O atoms from the cyclo-hexa-necarboxyl-ate anions and two O atoms from the water mol-ecules, forming a slightly distorted square-planar coordination. The O atom of the uncoordinated water mol-ecule lies on a crysatllographic twofold rotation axis. In the crystal, the components are linked by O-H⋯O hydrogen bonds, forming a three-dimensional network.

| S-EPMC2969973 | biostudies-literature

Poly[diaqua-1κO-bis[μ(3)-2-(1H-tetra-zol-5-yl)benzoato(2-)]dicadmium(II)].

Project description:The title compound, [Cd(2)(C(8)H(4)N(4)O(2))(2)(H(2)O)(2)](n), is a coordination polymer prepared by the hydro-thermal reaction of cadmium(II) chloride and 2-(1H-tetra-zol-5-yl)benzoic acid. Two types of coordinated cadmium cations exist in the structure. One is located on a twofold axis and is coordinated by four O and two N atoms from four symmetry-related ligands, forming a trigonal-prismatic coordination polyhedron. The other is located on an inversion center and is octa-hedrally coordinated by two N and two O atoms from two ligands in equatorial sites, and two water mol-ecules in axial sites. The organic ligand bridges three Cd atoms, through a carboxyl-ate group and two N atoms of the tetra-zolate unit. This mode of coordination results in a two-dimensional framework. The crystal structure is stabilized by inter-molecular O-H⋯O and O-H⋯N hydrogen bonds.

| S-EPMC2961931 | biostudies-literature

Tetra-kis(μ(3)-2-{[1,1-bis-(hydroxy-meth-yl)-2-oxidoeth-yl]imino-meth-yl}-6-methoxy-phenol-ato)tetra-nickel(II) tetra-hydrate.

Project description:The title complex, [Ni(4)(C(12)H(15)NO(4))(4)]·4H(2)O, has crystal-lographic fourfold inversion symmetry, with each Ni(II) ion coordinated in a slightly distorted square-pyramidal coordination environment and forming an Ni(4)O(4) cubane-like core. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds connect complex and water mol-ecules to form a three-dimensional network. The O atom of one of the unique hydroxy-methyl groups is disordered over two sites, with the ratio of occupancies being approximately 0.79:0.21.

| S-EPMC2961190 | biostudies-literature

Diaqua-bis-{5-carb-oxy-2-[(1H-1,2,4-triazol-1-yl)meth-yl]-1H-imidazole-4-carboxyl-ato}zinc.

Project description:In the title compound, [Zn(C(8)H(6)N(5)O(4))(2)(H(2)O)(2)], the six-coordinate Zn(II) ion, which is located on an inversion center, has a distorted octa-hedral configuration. Each 5-carb-oxy-2-[(1H-1,2,4-triazol-1-yl)meth-yl]-1H-imidazole-4-carboxyl-ate ligand chelates to the Zn(II) ion through a triazole N atom and a carboxyl-ate O atom in the equatorial plane. The coordination sphere is completed by two water mol-ecules in axial positions. There is an intra-molecular O-H?O hydrogen bond in the ligand. In the crystal, mol-ecules are linked via inter-molecular O-H?O, O-H?N and N-H?N hydrogen bonds, forming a three-dimensional structure.

| S-EPMC3238584 | biostudies-literature

Hexa-aqua-zinc(II) dinitrate bis-[5-(pyridinium-3-yl)tetra-zol-1-ide].

Project description:Hexa-aqua-zinc(II) dinitrate 5-(pyridinium-3-yl)tetra-zol-1-ide, [Zn(H2O)6](NO3)2·2C6H5N5, crystallizes in the space group P . The asymmetric unit contains one zwitterionic 5-(pyridinium-3-yl)tetra-zol-1-ide mol-ecule, one NO3- anion and one half of a [Zn(H2O)6]2+ cation ( symmetry). The pyridinium and tetra-zolide rings in the zwitterion are nearly coplanar, with a dihedral angle of 5.4 (2)°. Several O-H⋯N and N-H⋯O hydrogen-bonding inter-actions exist between the [Zn(H2O)6]2+ cation and the N atoms of the tetra-zolide ring, and between the nitrate anions and the N-H groups of the pyridinium ring, respectively, giving rise to a three-dimensional network. The 5-(pyridinium-3-yl)tetra-zol-1-ide mol-ecules show parallel-displaced π-π stacking inter-actions; the centroid-centroid distance between adjacent tetra-zolide rings is 3.6298 (6) Å and that between the pyridinium and tetra-zolide rings is 3.6120 (5) Å.

| S-EPMC6127703 | biostudies-literature

Crystal structures of the three closely related compounds: bis-[(1<i>H</i>-tetra-zol-5-yl)meth-yl]nitramide, tri-amino-guanidinium 5-({[(1<i>H</i>-tetra-zol-5-yl)meth-yl](nitro)-amino}-meth-yl)tetra-zol-1-ide, and di-ammonium bis-[(tetra-zol-1-id-5-yl)meth-yl]nitramide monohydrate.

Project description:In the mol-ecule of neutral bis-[(1H-tetra-zol-5-yl)meth-yl]nitramide, (I), C4H6N10O2, there are two intra-molecular N-H⋯O hydrogen bonds. In the crystal, N-H⋯N hydrogen bonds link mol-ecules, forming a two-dimensional network parallel to (-201) and weak C-H⋯O, C-H⋯N hydrogen bonds, and inter-molecular π-π stacking completes the three-dimensional network. The anion in the molecular salt, tri-amino-guanidinium 5-({[(1H-tetra-zol-5-yl)meth-yl](nitro)-amino}-meth-yl)tetra-zol-1-ide, (II), CH9N6+·C4H5N10O2-, displays intra-molecular π-π stacking and in the crystal, N-H⋯N and N-H⋯O hydrogen bonds link the components of the structure, forming a three-dimensional network. In the crystal of di-ammonium bis-[(tetra-zol-1-id-5-yl)meth-yl]nitramide monohydrate, (III), 2NH4+·C4H4N10O22-·H2O, O-H⋯N, N-H⋯N, and N-H⋯O hydrogen bonds link the components of the structure into a three-dimensional network. In addition, there is inter-molecular π-π stacking. In all three structures, the central N atom of the nitramide is mainly sp2-hybridized. Bond lengths indicate delocalization of charges on the tetra-zole rings for all three compounds. Compound (II) was found to be a non-merohedral twin and was solved and refined in the major component.

| S-EPMC5499290 | 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