Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Trans-Diaqua-bis[5-(1H-imidazol-4-yl-?N)-1H-tetra-zolato-?N]zinc(II).

ABSTRACT: In the title complex, [Zn(C(4)H(3)N(6))(2)(H(2)O)(2)], the metal centre lies on an inversion centre and displays a distorted octa-hedral ZnN(4)O(2) coordination geometry. The organic ligand is not planar; the dihedral angle between the imidazole and tetra-zole rings is 8.39?(9)°. An extended network of inter-molecular N-H?N and O-H?N hydrogen bonds stabilizes the crystal structure.

SUBMITTER: Zhao H

PROVIDER: S-EPMC2977593 | biostudies-literature | 2009 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

trans-Diaqua-bis[5-(1H-imidazol-4-yl-κN)-1H-tetra-zolato-κN]zinc(II).

Zhao Hong H Xiao Jie J

Acta crystallographica. Section E, Structure reports online 20090422 Pt 5

In the title complex, [Zn(C(4)H(3)N(6))(2)(H(2)O)(2)], the metal centre lies on an inversion centre and displays a distorted octa-hedral ZnN(4)O(2) coordination geometry. The organic ligand is not planar; the dihedral angle between the imidazole and tetra-zole rings is 8.39 (9)°. An extended network of inter-molecular N-H⋯N and O-H⋯N hydrogen bonds stabilizes the crystal structure. ...[more]

PMID: 21583779

Similar Datasets

Poly[diaqua-bis-{?-5-[4-(1H-imidazol-1-ylmethyl)phen-yl]tetra-zolato}copper(II)].

Project description:In the title compound, [Cu(C(11)H(9)N(6))(2)(H(2)O)(2)](n), the Cu(II) atom lies on an inversion center and is coordinated by four N atoms from four 5-[4-(1H-imidazol-1-ylmethyl)phen-yl]tetra-zolate ligands and two water mol-ecules in a distorted octa-hedral geometry. The ligands bridge the Cu(II) atoms, leading to the formation of a two-dimensional network parallel to (100). The structure is further stabilized by O-H?N hydrogen bonds within the network.

| S-EPMC3344355 | biostudies-literature

Poly[bis-(μ(2)-5-{4-[(1H-imidazol-1-yl)meth-yl]phen-yl}tetra-zolato)zinc].

Project description:In the title compound, [Zn(C(11)H(9)N(6))(2)](n), the Zn(II) atom lies on an inversion center and is coordinated by four N atoms from four 5-[4-(1H-imidazol-1-ylmeth-yl)phen-yl]tetra-zolate ligands in a distorted tetra-hedral geometry. The ligands bridge the Zn(II) atoms, leading to the formation of a two-dimensional network parallel to (010). The structure is further stabilized by C-H⋯N, C-H⋯π and π-π [centroid-centroid distance = 3.7523 (11) Å] inter-actions within the network.

| S-EPMC3569184 | biostudies-literature

Diaqua-bis[5-(2-pyrid-yl)tetra-zolato-κN,N]iron(II).

Project description:The title complex, [Fe(C(6)H(4)N(5))(2)(H(2)O)(2)], was synthesized by the reaction of ferrous sulfate with 5-(2-pyrid-yl)-2H-tetra-zole (HL). The Fe(II) atom, located on a crystallographic center of inversion, is coordinated by four N-atom donors from two planar trans-related deprotonated L ligands and two O atoms from two axial water mol-ecules in a distorted octa-hedral geometry. The Fe(II) mononuclear units are further connected by inter-molecular O-H⋯N and C-H⋯O hydrogen-bonding inter-actions, forming a three-dimensional framework.

| S-EPMC2968821 | biostudies-literature

Diaqua-bis[5-(2-pyridylmeth-yl)tetra-zolato-κN,N]manganese(II).

Project description:The title complex, [Mn(C(7)H(6)N(5))(2)(H(2)O)(2)], was obtained by the in situ hydro-thermal reaction of MnCl(2) with 2-(2-pyrid-yl)acetonitrile in the presence of NaN(3). The Mn(II) atom, which is located on an inversion centre, has a distorted octa-hedral coordination geometry formed by two water mol-ecules and two chelating ligands. Inter-molecular hydrogen bonds and π-π inter-actions (3.452 Å) stabilize the crystal structure and lead to the formation of a three-dimensional network.

| S-EPMC2961924 | 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

catena-Poly[(trans-diaqua-cadmium)-bis-{?-5-[4-(1H-imidazol-1-yl)phen-yl]tetra-zol-1-ido}].

Project description:In the title compound, [Cd(C(10)H(7)N(6))(2)(H(2)O)(2)], the Cd(II) atom lies on an inversion centre and is coordinated by four N atoms from 5-[4-(1H-imidazol-1-yl)phen-yl]tetra-zol-1-ide ligands and two O atoms from the coordinated water mol-ecules in an octa-hedral arrangement. The complex polymeric chains are inter-connected via inter-molecular water O-H?N hydrogen bonds into a three-dimensional network.

| S-EPMC3344330 | biostudies-literature

trans-Diaqua-bis-[5-carb-oxy-4-carboxyl-ato-2-(4-pyridinio)-1H-imidazol-1-ido-κN,O]zinc(II).

Project description:In the title complex, [Zn(C(10)H(6)N(3)O(4))(2)(H(2)O)(2)], the Zn(II) atom is located on a twofold rotation axis and is coordinated by two trans-positioned N,O-bidentate and zwitterionic 5-carb-oxy-4-carboxyl-ato-2-(4-pyridinio)-1H-imidazol-1-ide (H(2)PIDC(-)) ligands and two water mol-ecules, defining a distorted octa-hedral environment. The complete solid-state structure can be described as a three-dimensional supra-molecular framework, stabilized by extensive hydrogen-bonding inter-actions involving the coordinated water mol-ecules, uncoordin-ated imidazole N atom, protonated pyridine N and carboxyl-ate O atoms of the H(2)PIDC(-) ligands.

| S-EPMC3007913 | 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

Tetra-kis{1-[4-(1H-imidazol-1-yl-κN(3))phen-yl]ethanone}bis-(isothio-cyanato-κN)nickel(II).

Project description:The title complex mol-ecule, [Ni(NCS)(2)(C(11)H(10)N(2)O)(4)], has a crystallographically imposed centre of symmetry. The Ni(II) atom is coordinated by the N atoms of two trans-arranged NCS(-) anions and four 1-[4-(1H-imidazol-1-yl)phen-yl]ethan-one ligands in a distorted octa-hedral geometry. In the crystal, C-H⋯S hydrogen bonds link the complex mol-ecules into chains parallel to the b axis. The chains are further connected by C-H⋯O hydrogen bonds, forming layers parallel to the bc plane.

| S-EPMC3393218 | biostudies-literature

catena-Poly[[[diaqua-manganese(II)]-bis-[μ-1,3-bis-(1H-imidazol-1-ylmeth-yl)benzene-κN:N]] dinitrate].

Project description:In the title compound, {[Mn(C(14)H(14)N(4))(2)(H(2)O)(2)](NO(3))(2)}(n), the Mn(II) ion is located on an inversion center and is coordinated by four N atoms from four 1,3-bis-(1H-imidazol-1-ylmeth-yl)benzene (L) ligands and two water mol-ecules in a distorted octa-hedral geometry. Two L ligands are related by a centre of symmetry and bridge Mn(II) ions, forming a positively charged polymeric chain in [101]. Uncoordinated nitrate anions further link these chains into layers parallel to the ac plane via O-H⋯O hydrogen bonds.

| S-EPMC3246916 | 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