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

ABSTRACT: 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.

SUBMITTER: Shi WJ

PROVIDER: S-EPMC2969286 | biostudies-literature | 2009 Jun

REPOSITORIES: biostudies-literature

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

Shi Wen-Juan WJ

Acta crystallographica. Section E, Structure reports online 20090620 Pt 7

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 o ...[more]

PMID: 21582726

Similar Datasets

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]].

Project description: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.

| S-EPMC2969290 | biostudies-other

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

Di-μ(3)-iodido-diiodidobis(μ(2)-4'-phenyl-2,2':6',2''-terpyridine)tetra-copper(I).

Project description:The title complex, [Cu(4)I(4)(C(21)H(15)N(3))(2)], lies on an inversion centre located at the centroid of a four-membered ring formed by one of the crystallographically independent Cu(I) ions and a triply bridging iodide ligand. The 2,2':6',2''-terpyridine (phterpy) ligand chelates each of the independent Cu(I) centres in a bidentate fashion, with the N atom of the central pyridyl ring bridging the two Cu(I) centres and those of the outer pyridyl rings binding the two independent Cu(I) ions individually to form a dinuclear system. These are further linked by triply-bridging I(-) anions to form the centrosymmetric tetra-nuclear units. One independent Cu atom binds to each of the inversion-related I(-) anions while the other coordinates to one bridging and one terminal monodentate iodide ligand. The outer pyridyl rings are twisted relative to the central pyridyl ring of the phterpy ligand with dihedral angles of 18.7 (1) and 35.6 (1)°, respectively.

| S-EPMC2914928 | 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[(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[[(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

Crystal structure of poly[[(2,2'-bi-pyridine)manganese(II)]-di-?-thio-cyanato].

Project description:In the crystal structure of the polymeric title compound, [Mn(NCS)2(C10H8N2)] n , the Mn(II) cations are coordinated by one chelating 2,2'-bi-pyridine ligand and four thio-cyanate anions (two N- and two S-coordinating), forming a distorted [MnN4S2] octa-hedron. The asymmetric unit consists of one manganese cation located on a twofold rotation axis and half of a 2,2'-bi-pyridine ligand, the other half being generated by the same twofold rotation axis, as well as one thio-cyanate anion in a general position. The Mn(II) cations are linked by two pairs of ?1,3-bridging thio-cyanate ligands into chains along the c axis; because the N atoms of the 2,2'-bi-pyridine ligands, as well as the N and the S atoms of the thio-cyanate anions, are each cis-coordinating, these chains show a zigzag arrangement.

| S-EPMC4257407 | biostudies-literature

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