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Catena-Poly[[[bis-(thio-urea-κS)copper(I)]-μ-thio-urea-κS:S] iodide acetonitrile hemisolvate].

ABSTRACT: The title complex, {[Cu(CH(4)N(2)S)(3)]I·0.5CH(3)CN}(n), was formed by the reaction of CuI and thio-urea in acetonitrile. There are two independent Cu(I) ions in the asymmetric unit which are coordinated by two terminal and two bridging thio-urea ligands to form a one-dimensional helical chain structure progagating in the a-axis direction. Each Cu(I) ion is in a distorted tetra-hedral coordination environment. The crystal structure is stabilized by weak N-H⋯S and N-H⋯I hydrogen bonds.

SUBMITTER: Jia L

PROVIDER: S-EPMC2960929 | biostudies-literature | 2008 Mar

REPOSITORIES: biostudies-literature

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catena-Poly[[[bis-(thio-urea-κS)copper(I)]-μ-thio-urea-κS:S] iodide acetonitrile hemisolvate].

Jia Li L Kong Ling-Qian LQ Li Da-Cheng DC

Acta crystallographica. Section E, Structure reports online 20080320 Pt 4

The title complex, {[Cu(CH(4)N(2)S)(3)]I·0.5CH(3)CN}(n), was formed by the reaction of CuI and thio-urea in acetonitrile. There are two independent Cu(I) ions in the asymmetric unit which are coordinated by two terminal and two bridging thio-urea ligands to form a one-dimensional helical chain structure progagating in the a-axis direction. Each Cu(I) ion is in a distorted tetra-hedral coordination environment. The crystal structure is stabilized by weak N-H⋯S and N-H⋯I hydrogen bonds. ...[more]

PMID: 21202021

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Redetermination of catena-poly[[chlorido-(thio-urea-κS)copper(I)]-μ-thio-urea-κS:S] at 100 K.

Project description:The structure of the polymeric title compound, [CuCl(CH(4)N(2)S)(2)](n), has been redetermined to modern standards of precision with anisotropic refinement and location of the H atoms. The previous structure report [Spofford & Amma (1970 ▶). Acta Cryst. B26, 1474-1483] is generally confirmed to higher precision [typical Cu-S bond length s.u. values = 0.005 (old) and 0.001 Å (new)]. The asymmetric unit contains two formula units, with both Cu(I) atoms coordinated by one terminal S atom and two bridging S atoms of thio-urea ligands. This connectivity leads to polymeric [100] chains in the crystal. If very long contacts to nearby chloride ions [2.8687 (9) and 3.1394 (12) Å] are considered to be bonding, then very distorted CuS(3)Cl tetra-hedral coordination polyhedra arise. The crystal structure is consolidated by weak intra- and inter-chain N-H⋯S and N-H⋯Cl hydrogen bonds.

| S-EPMC3297225 | biostudies-literature

Chlorido(1,3-dimethyl-thio-urea-κS)bis-(triphenyl-phosphine-κP)copper(I) acetonitrile hemisolvate.

Project description:The title compound, [CuCl(C(3)H(8)N(2)S)(C(18)H(15)P)(2)]·0.5CH(3)CN, was prepared by the reaction of copper(I) chloride with 1,3-dimethyl-thio-urea (dmtu) and triphenyl-phosphine (PPh(3)) in acetonitrile. The Cu(I) atom has a distorted tetra-hedral environment formed by two P atoms from triphenyl-phosphine, one S atom from the dmtu ligand and one Cl atom. In addition, the mol-ecules exhibit intra- and inter-molecular N-H⋯Cl inter-actions.

| S-EPMC2977114 | biostudies-literature

catena-Poly[[[bis-(thio-urea-κS)cadmium]-di-μ-thio-cyanato-κ(2)N:S;κ(2)S:N] dihydrate].

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catena-Poly[[[(1,10-phenanthroline)copper(I)]-μ-cyanido] ethanol hemisolvate].

Project description:In the title coordination polymer, {[Cu(CN)(C(12)H(10)N(2))]·0.5C(2)H(5)OH}(n), there are two Cu(I) ions, two 1,10-phenanthroline (phen) ligands and two cyanide ions in the asymmetric unit along with a highly disordered ethanol solvent mol-ecule, which was modelled as being disordered over two sets of sites in a 0.829 (7):0.171 (7) ratio. The orientation/ordering of the C and N atoms of the cyanide ions could not be determined in the present refinement and they were modelled as being statistically disordered. Both copper ions are coordinated by an N,N'-bidentate phen ligand and two cyanide ligands, generating distorted tetra-hedral CuN(2)Q(2) (Q = C or N) tetra-hedra. The μ-cyanide ligands link the metal ions, forming a zigzag chain propagating in [001]. The chains are cross-linked by numerous aromatic π-π stacking contacts between adjacent phen rings [minimum centroid-centroid separation = 3.620 (3) Å].

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Poly[[μ(3)-chlorido-bis(μ(2)-thio-urea-κS)disilver(I)] nitrate].

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| S-EPMC3008121 | 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[silver(I)-bis-[μ-bis-(diphenyl-phosphino)methane-κP:P']-μ-thio-cyanato-κS:S-silver(I)-μ-thio-cyanato-κS:N].

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| S-EPMC2983356 | biostudies-literature

Poly[bis-(acetonitrile-κN)di-μ-thio-cyanato-κN,S;κS,N-nickel(II)].

Project description:In the title compound, [Ni(NCS)(2)(CH(3)CN)(2)](n), the Ni(II) cation is coordinated by two N-bonded and two S-bonded thio-cyanate anions, as well as two acetonitrile mol-ecules in an octa-hedral NiN(4)S(2) coordination mode. The asymmetric unit comprises one nickel cation, two thio-cyanate anions and two actonitrile mol-ecules. In the crystal, the Ni(II) cations are connected by bridging thio-cyanate anions into a three-dimensional coordination network.

| S-EPMC3051924 | biostudies-literature

A second polymorph of catena-poly[[(1,10-phenanthroline-κN,N')copper(II)]-di-μ-thio-cyanato-κN:S;κS:N].

Project description:In the title coordination polymer, [Cu(NCS)(2)(C(12)H(8)N(2))](n), the Cu(II) atom is situated on a twofold rotation axis and is coordinated by two N atoms from the bidentate 1,10-phenanthroline ligand and four thio-cyanate groups to confer a CuN(4)S(2) octa-hedral geometry and resulting in a layer structure extending parallel to (100).

| S-EPMC3099897 | biostudies-literature

catena-Poly[[bis-(thio-cyanato-κN)cobalt(II)]-di-μ-thio-urea-κ(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 μ(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.

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