Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Catena-Poly[[bis-[1-(2-hydroxy-ethyl)-1H-tetra-zole-κN]copper(II)]-di-μ-chlorido]: a powder study.

ABSTRACT: The crystal structure of the title polymeric complex, [CuCl(2)(C(3)H(6)N(4)O)(2)](n), was obtained by the Rietveld refinement from laboratory X-ray powder diffraction data collected at room temperature. The unique Cu(II) ion lies on an inversion center and is in a slightly distorted octa-hedral coordination environment. In the hydroxy-ethyl group, all H atoms, the O atom and its attached C atom are disordered over two positions; the site occupancy factors are ca 0.6 and 0.4. The OH group is involved in an intra-molecular O-H⋯N hydrogen bond.

SUBMITTER: Ivashkevich LS

PROVIDER: S-EPMC2961963 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

catena-Poly[cobalt(II)-di-?-chlorido-?Cl:Cl-?-1,5-dimethyl-1H-tetra-zole-?N:N]: an X-ray powder investigation.

Project description:The asymmetric unit of the title compound, [CoCl(2)(C(3)H(6)N(4))](n), contains two Co atoms, both lying on inversion centres, two Cl atoms and one 1,5-dimethyl-tetra-zole ligand. The coordination polyhedra of both Co atoms adopt flattened octa-hedral geometry, with two N atoms from two ligands in axial positions and four Cl atoms in equatorial sites. Neighbouring Co atoms are linked together via two bridging Cl atoms and one tetra-zole ring to form polymeric chains running along the a axis.

| S-EPMC2968201 | biostudies-literature

catena-Poly[[iodidocopper(I)]-μ-4,4',6,6'-tetra-methyl-2,2'-(ethyl-enedithio)dipyrimidine-κN:N'].

Project description:In the title coordination polymer, [CuI(C(14)H(18)N(4)S(2))](n), the Cu(I) center is trigonally coordinated by two pyrimidine N-atom donors from two distinct dithio-ether ligands and one iodide anion. The Cu and I atoms are located on a twofold axis, whereas the midpoint of the central C-C bond of the dithio-ether ligand is located on an inversion center. Each organic ligand, acting in a bidentate mode, bridges two Cu(I )ions, resulting in the formation of polymeric zigzag chains. The dihedral angle between the two pyrimidine units bonded to the metal center is 88.01 (2)°. The crystal packing is mainly stabilized by van der Waals forces and π-π stacking inter-actions, with an inter-planar distance between the pyrimidine rings of adjacent chains of 3.638 (3) Å.

| S-EPMC2969925 | biostudies-literature

Hexa-μ(2)-chlorido-μ(4)-oxido-tetra-kis-[(3-methyl-5-phenyl-1H-pyrazole-κN)copper(II)].

Project description:The title compound, [Cu(4)Cl(6)O(C(10)H(10)N(2))(4)], contains four Cu(II) atoms which are bridged by six chloride anions. The central O atom is located on a crystallographic fourfold roto-inversion axis. Each Cu(II) atom is coordinated by an N atom of a neutral monodentate 3-methyl-5-phenyl-pyrazole ligand, three Cl(-) anions, and one O(2-) anion. The geometry at each Cu(II) atom is distorted trigonal-bipyramidal, with the three Cl(-) ions in the equatorial plane and the N and O atoms in the axial positions.

| S-EPMC3051691 | biostudies-literature

catena-Poly[[chloridocadmium(II)]bis-{μ-1-[(2-ethyl-1H-imidazol-1-yl)meth-yl]-1H-benzotriazole}[chloridocadmium(II)]di-μ-chlorido].

Project description:In the polymeric title complex, [CdCl(2)(C(12)H(13)N(5))](n), the Cd(II) atom is five-coordinated by two N atoms from two bridging 1-[(2-ethyl-1H-imidazol-1-yl)meth-yl]-1H-benzotriazole (bmei) ligands, two bridging Cl atoms and one terminal Cl atom in a distorted trigonal-bipyramidal geometry. The Cd(II) atoms are connected alternately by the Cl atoms and bmei ligands, leading to a zigzag chain extending parallel to [011]. π-π inter-actions, with a centroid-centroid distance of 3.3016 (3) Å, help to stabilize the crystal packing.

| S-EPMC3151992 | biostudies-literature

catena-Poly[[bis-(1-ethyl-1H-imidazole-κN)copper(II)]-μ-oxalato-κO,O:O,O].

Project description:The title compound, [Cu(C(2)O(4))(C(5)H(8)N(2))(2)](n), is composed of one-dimensional linear chains running parallel to the a axis. In the chain, trans-[Cu(imidazole)(2)](2+) units are sequentially bridged by bis-bidentate oxalate ligands, resulting in an octa-hedral CuO(4)N(2) donor set. The Cu⋯Cu separation through the oxalate bridge is 5.620 (5) Å. Both the Cu atoms and the C-C bond of the oxalate bridge are bis-ected by inversion centres.

| S-EPMC3246998 | biostudies-literature

catena-Poly[[bis-(1-ethyl-1H-imidazole-?N)cadmium]-di-?-chlorido-[(1-ethyl-1H-imidazole-?N)cadmium]-di-?-chlorido-[(1-ethyl-1H-imidazole-?N)cadmium]-di-?-chlorido-[bis-(1-ethyl-1H-imidazole-?N)cadmium]].

Project description:The asymmetric unit of the crystal structure of the title compound, [Cd(2)Cl(4)(C(5)H(8)N(2))(3)](n), contains two Cd(II) cations, three 1-ethyl-1H-imidazole ligands, and four Cl(-) anions. The two Cd(II) atoms have quite different coordination environments: one is octa-hedrally coordinated by four Cl atoms and two N atoms from two 1-ethyl-1H-imidazole ligands, and the second is in a severely distorted fivefold coordination by four Cl atoms and one N atom from a 1-ethyl-1H-imidazole ligand. Adjacent Cd(II) cations are inter-connected alternately by pairs of chloride bridges, generating an infinite step-like chain along the a axis. One ethyl group of the 1-ethyl-1H-imidazole ligand is disordered over two sets of sites with a 0.668?(13):0.332?(13) site-occupancy ratio.

| S-EPMC3238745 | biostudies-literature

catena-Poly[2-methyl-1H-imidazol-3-ium [(aqua-chloridocadmate)-di-μ-chlorido]].

Project description:The asymmetric unit of the title compound, {(C(4)H(7)N(2))[CdCl(3)(H(2)O)]}(n), contains one 1-methyl-1H-imidazol-3-ium cation, one Cd(II) atom, three Cl atoms and one water mol-ecule. Adjacent Cd ions are inter-connected alternately by paired Cl(-) bridges to generate an infinite one-dimensional coordination chain along the b axis. In the chain, the crystallographically unique Cd(II) atom, with a distorted octa-hedral geometry, is coordinated by five Cl(-) ions and one water mol-ecule. Intra-chain O-H⋯Cl hydrogen bonding and N-H⋯Cl hydrogen bonding between the cations and the anionic chains consolidate the crystal packing.

| S-EPMC3246997 | biostudies-literature

Di-μ-chlorido-bis-(chlorido{2-[(4-ethyl-phen-yl)imino-meth-yl]pyridine-κN,N'}copper(II)).

Project description:The binuclear title complex, [Cu(2)Cl(4)(C(14)H(14)N(2))(2)], is located on a crystallographic inversion centre. The Cu(II) ion is in a distorted square-pyramid coordination environment formed by the bichelating N-heterocyclic ligand, two bridging Cl atoms and one terminal Cl atom. One of the bridging Cu-Cl bonds is significantly longer than the other.

| S-EPMC3200970 | biostudies-literature

catena-Poly[[[tetra-aqua-zinc(II)]-μ-4,4'-bipyridine-κN:N'] naphthalene-1,5-disulfonate].

Project description:In the title complex, {[Zn(C(10)H(8)N(2))(H(2)O)(4)](C(10)H(6)O(6)S(2))}(n), the [Zn(4,4'-bipy)(H(2)O)(4)](2+) (4,4'-bipy is 4,4'-bipyridine) cations are linked into linear chains along [001] by the 4,4'-bipy ligands. The Zn(II) ion exhibits a slightly distorted octa-hedral coordination geometry in which the four water mol-ecules are in the equatorial positions. The anions are hydrogen bonded to the polycationic chains by O-H⋯O hydrogen bonds, forming a three-dimensional network. The Zn(II) ion, 4,4'-bipy ligand and anion lie on special positions of 2/m site symmetry.

| S-EPMC2969998 | biostudies-literature

5-Pentyl-1H-tetra-zole.

Project description:The title compound C(6)H(12)N(4), is one of a few known tetra-zoles with an alkyl chain in the 5-position. The asymmetric unit contains two independent mol-ecules. The mol-ecules are linked by N-H?N inter-actions into chains with graph-set notation D(2) and C(2) (2)(8) along [010]. The two independent mol-ecules form a layered structure, the layers being composed of inter-digitating strands of alternatingly oriented and nearly identical mol-ecules.

| S-EPMC3050224 | 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