Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Poly[?-4,4'-bipyridine-?N:N'-?-thio-cyanato-?N:S-copper(I)].

ABSTRACT: In the crystal structure of the title compound, [Cu(NCS)(C(10)H(8)N(2))](n), the Cu(I) atom is coordinated by two N atoms from two symmetry-related 4,4'-bipyridine (bipy) ligands and one N and one S atom from two symmetry-related thio-cyanate ligands in a distorted tetra-hedral environment. The thio-cyanate ligands bridge the Cu(I) atoms into a zigzag [CuSCN](n) chain running parallel to the a axis. These chains are further connected through two bipy ligands that bridge the Cu(I) centers to generate a two-dimensional brick-like network. The pyridyl planes of the ligands exhibit a dihedral angle of 37.35?(12)°.

SUBMITTER: Wriedt M

PROVIDER: S-EPMC2959690 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Poly[μ-4,4'-bipyridine-κN:N'-μ-thio-cyanato-κN:S-copper(I)].

Wriedt Mario M Sellmer Sina S Näther Christian C

Acta crystallographica. Section E, Structure reports online 20081018 Pt 11

In the crystal structure of the title compound, [Cu(NCS)(C(10)H(8)N(2))](n), the Cu(I) atom is coordinated by two N atoms from two symmetry-related 4,4'-bipyridine (bipy) ligands and one N and one S atom from two symmetry-related thio-cyanate ligands in a distorted tetra-hedral environment. The thio-cyanate ligands bridge the Cu(I) atoms into a zigzag [CuSCN](n) chain running parallel to the a axis. These chains are further connected through two bipy ligands that bridge the Cu(I) centers to gene ...[more]

PMID: 21580869

Similar Datasets

catena-Poly[[dimethyl-bis-(thio-cyanato-κN)tin(IV)]-μ-(4,4'-bipyridine-κN:N')].

Project description:The title dimethyl-tin diisothio-cyanate adduct of 4,4'-bipyridine, [Sn(CH(3))(2)(NCS)(2)(C(10)H(8)N(2))](n), adopts a chain motif in which the N-heterocycle functions as a bridge to adjacent all-trans octa-hedrally coordinated tin atoms. The Sn(IV) atom lies on a special position of 2/m site symmetry, the methyl C atom on a special position of 2 site symmetry, and the thio-cyanate and 4,4'-bipyridine on a special position of m site symmetry.

| S-EPMC3052023 | biostudies-literature

catena-Poly[[(2,2'-bipyridine-κN,N')copper(I)]-μ-cyanido-κC:N-[(2,2'-bipyridine-κN,N')copper(I)]-μ-thio-cyanato-κS:N].

Project description:The title compound, [Cu(2)(CN)(SCN)(C(10)H(8)N(2))(2)](n), contains two crystallographically independent Cu(I) atoms, each in a distorted tetra-hedral geometry. Each Cu atom is coordinated by a bidentate chelating 2,2'-bipyridine ligand. A bridging cyanide anion links the two Cu(2,2'-bipyridine) units to form a binuclear unit. Adjacent binuclear units are connected by a thio-cyanate anion into a one-dimensional helical chain along [010]. The cyanide anion is disordered, with each site occupied by both C and N atoms in an occupancy ratio of 0.61 (5):0.39 (5). The S atom of the thio-cyanate anion is also disordered over two sites, with occupancy factors of 0.61 (3) and 0.39 (3). There are π-π inter-actions between the pyridyl rings of neighbouring chains [centroid-centroid distance = 3.82 (1) Å].

| S-EPMC2959861 | biostudies-literature

catena-Poly[[(1,10-phenanthroline-κN,N')copper(I)]-μ-thio-cyanato-κN:S].

Project description:In the title complex, [Cu(NCS)(C(12)H(8)N(2))](n), the Cu(I) ion is in a distorted tetra-hedral CuN(3)S coordination geometry. The thio-cyanate ligand acts as bridging ligand, forming chains along [100]. A crystallographic mirror plane runs through the Cu(I) ion, the thio-cyanate ligand and the middle of the phenanthroline ligand.

| S-EPMC2983214 | biostudies-literature

catena-Poly[(E)-4,4'-(ethane-1,2-di-yl)dipyridinium [[bis-(thio-cyanato-κN)ferrate(II)]-di-μ-thio-cyanato-κN:S;κS:N]].

Project description:In the crystal structure of the title compound, {(C(12)H(14)N(2))[Fe(NCS)(4)]}(n), the iron(II) cation is coordinated by four N-bonded and two S-bonded thio-cyanate anions in a distorted octa-hedral coordination mode. The asymmetric unit consists of half an iron(II) cation and half a protonated (E)-4,4'-(ethane-1,2-di-yl)dipyridinium dication, each located on a centre of inversion. In addition, there are two thio-cyanate anions in general positions. The crystal structure consists of Fe-(NCS)(2)-Fe chains in which each iron(II) cation is additionally coordinated by two terminal N-bonded thio-cyanate anions. Non-coordinating dipyridinium dications are present between the thiocyanatoferrate(II) chains and are connected to the anions via N-H⋯N and N-H⋯S hydrogen-bond interactions.

| S-EPMC3246934 | biostudies-literature

Bis(2,2'-bipyridine-κN,N')(thio-cyanato-κN)copper(II) perchlorate.

Project description:The asymmetric unit of title compound, [Cu(NCS)(C(10)H(8)N(2))(2)]ClO(4), contains a bis-(2,2'-bipyridine)(isothio-cyanato)copper(II) cation and a perchlorate anion. In the cation, the Cu(2+) ion is coordinated by four N atoms from two bidentate 2,2'-bipyridine mol-ecules and an N atom from an isothio-cyanate anion, resulting in a distorted CuN(5) pyramidal configuration. The crystal structure is stabilized by weak inter-molecular C-H⋯O and C-H⋯S hydrogen bonds, and weak π-π inter-actions between 2,2'-bipyridine rings [centroid-centroid distance = 3.908 (4) Å]. The perchlorate counteranion is disordered over two positions in a 0.66:0.34 ratio.

| S-EPMC2969965 | biostudies-literature

catena-Poly[{μ-cyanido-bis-[(4,4'-dimethyl-2,2'-bipyridine-κN,N')copper(I)]}-μ-cyanido-copper(I)-μ-cyanido].

Project description:In the title compound, [Cu(3)(CN)(3)(C(12)H(12)N(2))(2)], two 2,2'-bipyridine N,N'-chelated Cu(I) atoms are linked by a cyanide bridge that lies about a center of inversion; the Cu(I) atom exists in a tetra-hedral coordination geometry. This dinuclear entity is linked to another Cu(I) atom that lies on a twofold rotation axis by another cyanide bridge, these bridges giving rise to the formation of a linear chain motif.

| S-EPMC2961986 | biostudies-literature

catena-Poly[[diaqua-bis(thio-cyanato-?N)cobalt(II)]-?-4,4'-bipyridine-?N:N'] 4,4'-bipyridine solvate].

Project description:In the title complex, {[Co(NCS)(2)(C(10)H(8)N(2))(H(2)O)(2)]·C(10)H(8)N(2)}(n), the Co(II) ion is located on an inversion centre and is coordinated by two N atoms from the two 4,4'-bipyridine ligands, two O atoms from the water mol-ecule, and two N atoms from two isothio-cyanate ions in a distorted octa-hedral environment. In the crystal, the coordinated water mol-ecules, isothio-cyanate ions and solvent 4,4'-bipyridine mol-ecules are linked by O-H?S and O-H?N hydrogen bonds into layers parallel to the ab plane.

| S-EPMC2969491 | biostudies-literature

catena-Poly[[(2,2'-bipyrimidine-κN,N)diperchloratocopper(II)]-μ-4,4'-bipyridine-κN:N'].

Project description:The central CuN(4)O(2) motif of the title compound, [Cu(ClO(4))(2)(C(8)H(6)N(4))(C(10)H(8)N(2))](n), exhibits a Jahn-Teller-distorted octa-hedral geometry around the metal centre, showing a considerably long Cu-O bond distance of 2.634 (4) Å towards the second perchlorate group occupying the sixth coordination site, giving a (4+1+1)-type coordination mode. The 4,4'-bipyridine (bipy) ligands are highly twisted with respect to each other, the dihedral angle between the two pyridyl ring planes being 38.9 (2)°. The bipy ligands act as bridging ligands between [Cu(ClO(4))(2)(2,2'-bpym)] (2,2'-bpym is 2,2'-bipyrimidine) units, generating an infinite one-dimensional zigzag chain along [010]. Intra- and intermolecular C-H⋯O hydrogen bonds are present in the crystal structure.

| S-EPMC2961952 | biostudies-literature

catena-Poly[[[tetra-aqua-cobalt(II)]-μ-4,4'-bipyridine-κN:N'] bis-(perchlorate) 4,4'-bipyridine disolvate dihydrate].

Project description:In the title compound, {[Co(C(10)H(8)N(2))(H(2)O)(4)](ClO(4))(2)·2C(10)H(8)N(2)·2H(2)O}(n), slightly distorted octa-hedrally coordinated Co(II) ions situated on inversion centers are linked into polycationic chains through 4,4'-bipyridine tethering ligands. These are connected into supra-molecular layers by hydrogen bonding involving aqua ligands, perchlorate anions and uncoordinated water mol-ecules. A twofold inter-penetrated primitive cubic supra-molecular network is formed by the inter-action of pseudo-layers by hydrogen bonding between aqua ligands and unligated 4,4'-bipyridine mol-ecules.

| S-EPMC2959782 | biostudies-literature

μ-4,4'-Bipyridine-κN:N'-bis-[aqua-(4,4'-bi-pyridine-κN)(l-valinato-κN,O)copper(II)] dinitrate dihydrate.

Project description:In the title dinuclear complex, [Cu(2)(C(5)H(10)NO(2))(2)(C(10)H(8)N(2))(3)(H(2)O)(2)](NO(3))(2)·2H(2)O, each of the two l-valinate anions chelates a Cu(II) center through the amino N and carboxyl-ate O atom, forming a five-membered ring. A 4,4'-bipyridine mol-ecule bridges two water-coordinated Cu atoms, each of which is connected to another 4,4'-bipyridine, giving rise to a square-pyramidal coordination geometry for the Cu(II) centers. The dinuclear dications, nitrate anions and uncoord-inated water mol-ecules are linked into a two-dimensional structure.

| S-EPMC2960237 | 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