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Catena-Poly[hemi{bis-[4'-(3-pyrid-yl)-2,2':6',2''-terpyridine-?N,N,N]copper(II)} [cuprate(I)-di-?(2)-thio-cyanato-?N:S;?S:N]].

ABSTRACT: The title compound, {[Cu(C(20)H(14)N(4))(2)][Cu(2)(NCS)(4)]}(n), was obtained by reacting copper acetate hydrate, ammonium thio-cyanate and 4'-(3-pyrid-yl)-2,2':6',2''-terpyridine (3-pytpy) under solvothermal conditions. The polymeric complex is isostructural with the 4'-phenyl-2,2':6',2''-terpyridine (phtpy) analogue. All intramolecular distances and angles are very similar for the two structures. Substitution of a phenyl group with a pyridyl group has no significant effect on the crystal packing which is accomplished by C-H?N and C-H?S hydrogen-bonding interactions.

SUBMITTER: Shi WJ

PROVIDER: S-EPMC2969290 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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catena-Poly[hemi{bis-[4'-(3-pyrid-yl)-2,2':6',2''-terpyridine-κN,N,N]copper(II)} [cuprate(I)-di-μ(2)-thio-cyanato-κN:S;κS:N]].

Shi Wen-Juan WJ

Acta crystallographica. Section E, Structure reports online 20090624 Pt 7

The title compound, {[Cu(C(20)H(14)N(4))(2)][Cu(2)(NCS)(4)]}(n), was obtained by reacting copper acetate hydrate, ammonium thio-cyanate and 4'-(3-pyrid-yl)-2,2':6',2''-terpyridine (3-pytpy) under solvothermal conditions. The polymeric complex is isostructural with the 4'-phenyl-2,2':6',2''-terpyridine (phtpy) analogue. All intramolecular distances and angles are very similar for the two structures. Substitution of a phenyl group with a pyridyl group has no significant effect on the crystal packi ...[more]

PMID: 21582737

Similar Datasets

catena-Poly[hemi[bis-(4'-phenyl-2,2':6',2''-terpyridine-?N)copper(II)] [cuprate(I)-di-?(2)-thio-cyanato-?N:S;?S:N]].

Project description:Reaction of 4'-phenyl-2,2':6',2''-terpyridine (phtpy), copper acetate hydrate and ammonium thio-cyanate under solvothermal conditions led to the formation of the title compound, {[Cu(C(21)H(15)N(3))(2)][Cu(2)(NCS)(4)]}(n). The structure is composed of discrete [Cu(phtpy)(2)](2+) cations and polymeric anionic {[Cu(SCN)(2)](-)} chains propagating along [010]. The central Cu(2+) ion in the cation is coordinated by two tridentate chelating phtpy ligands in a distorted octa-hedral geometry. In each of the two crystallographically independent centrosymmetric anions, the Cu(I) atoms are bridged in a 1,3-?(2)-bridging mode by two S and two N atoms, resulting in a distorted tetrahedral CuN(2)S(2) coordination. The [Cu(phtpy)(2)](2+) cations are fixed between these polymers by inter-molecular C-H?S hydrogen bonds.

| S-EPMC2969286 | biostudies-literature

[4'-(3-Pyrid-yl)-2,2';6',2''-terpyridine]dithio-cyanato-copper(II).

Project description:In the title compound, [Cu(NCS)(2)(C(20)H(14)N(4))], the Cu atom is five-coordinated in a tetra-gonal-pyramidal geometry.

| S-EPMC2983769 | 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[(E)-4,4'-(ethene-1,2-di-yl)dipyridinium [[bis-(thio-cyanato-?N)ferrate(II)]-di-?-thio-cyanato-?N:S;?S:N]].

Project description:In the title compound, {(C(12)H(12)N(2))[Fe(NCS)(4)]}(n), each Fe(II) cation is coordinated by four N-bonded and two S-bonded thio-cyanate anions in an octa-hedral coordination mode. The asymmetric unit consists of one Fe(II) cation, located on a center of inversion, as well as one protonated (E)-4,4'-(ethene-1,2-di-yl)dipyridinium dication and two thio-cyanate anions in general positions. The crystal structure consists of Fe-(NCS)(2)-Fe chains extending along the a axis, in which two further thio-cyanate anions are only terminally bonded via nitro-gen. Non-coordinating (E)-4,4'-(ethene-1,2-di-yl)dipyrid-inium cations are found between the chains.

| S-EPMC2983361 | biostudies-literature

catena-Poly[[bis-(thio-cyanato-?N)cobalt(II)]-di-?-thio-urea-?(4)S:S].

Project description:In the title polymeric complex, [Co(NCS)(2){SC(NH(2))(2)}(2)](n), the asymmetric unit comprises a Co(II) ion, which is situated on an inversion centre, an N-bound thio-cyanate anion and a ?(2)-bridging thio-urea mol-ecule. The Co(II) atom is coordinated in a distorted octa-hedral fashion within an N(2)S(4) donor set. The bridging thio-urea ligands link Co(II) ions into a polymeric chain extending along [100]. The mol-ecular conformation is stabilized by intra-molecular N-H?N hydrogen bonds, which generate S(6) ring motifs. The crystal packing is stabilized by N-H?S inter-actions, which connect the chains into a three-dimensional architecture.

| S-EPMC3414167 | 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[[(1,10-phenanthroline-?N,N')copper(I)]-?-thio-cyanato-?N: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[[(6,7,9,10,17,18,20,21-octa-hydro-5,8,11,16,19,22-hexa-oxadibenzo[a,j]cyclo-octa-decene)barium]-di-μ-thio-cyanato-[thio-cyanato-diaurate(I)(Au-Au)]-μ-thio-cyanato].

Project description:In the title compound, [Au(2)Ba(NCS)(4)(C(20)H(24)O(6))](n), the dithio--cyanato-aurate(I) anion adopts a dimeric structure with an Au⋯Au distance of 3.1109 (10) Å; both Au(I) atoms are also bonded to two S atoms. The Ba(II) ion adopts an irregular BaN(3)O(6) geometry, arising from the crown ether and three adjacent thio-cyanate N atoms; the extended structure of the complex can be described as a one-dimensional coordination polymer generated by the Ba⋯N inter-actions (two on the endo side and one on the exo side of the crown ether) running parallel to the b axis, with an anti-parallel arrangement of ribbons in the unit cell.

| S-EPMC2971920 | biostudies-literature

Poly[?(2)-chlorido-dichlorido[?(2)-4'-(4-pyrid-yl)-2,2':6',2''-terpyridine]-copper(I)copper(II)].

Project description:In the mixed-valence Cu(I)/Cu(II) coordination polymer, [Cu(2)Cl(3)(C(20)H(14)N(4))](n), the two Cu atoms are bridged to a pair of Cl atoms across a centre of inversion. The monovalent metal atoms is coordinated by a pyridine N atom as well as by three Cl atoms in a tetra-hedral CuNCl(3) geometry. The divalent metal atom is N,N',N''-chelated by the heterocycle, and it exists in a square-pyramidal CuN(3)Cl(2) geometry; the apical site is occupied by the second bridging Cl atom. The bridging modes of the Cl atoms and the heterocycle give rise to the formation of a layered arrangement parallel to (001).

| S-EPMC3089113 | biostudies-literature

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