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Synthesis, crystal structure and properties of poly[(μ-2-methylpyridine N-oxide-κ2O:O)bis(μ-thiocyanato-κ2N:S)cobalt(II)]

ABSTRACT:

SUBMITTER: Nather C

PROVIDER: S-EPMC10833374 | biostudies-literature | 2024 Jan

REPOSITORIES: biostudies-literature

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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.

| S-EPMC3414167 | biostudies-literature

catena-Poly[[bis-(pyridine-κN)nickel(II)]-di-μ-thio-cyanato-κ(2) N:S;κ(2) S:N].

Project description:In the title compound, [Ni(NCS)2(C5H5N)2] n , the Ni(2+) cation is coordinated by four thio-cyanate anions (μ-1,3) and two pyridine ligands within a slightly distorted octa-hedral configuration. The Ni-N bond lengths to the pyridine rings are 2.1189 (17) and 2.1241 (17) Å, whereas those to the thiocyanate anions are 2.0299 (18) and 2.0359 Å. The Ni-S bond lengths are 2.5357 (6) and 2.5568 (6) Å. The Ni(2+) cations are linked by N:S-bridging thio-cyanate ligands into chains extending along [010]. The Ni⋯Ni distance within the chains is 5.5820 (5) Å. The asymmetric unit contains two Ni(2+) cations of which one is located on a centre of inversion, whereas the second is located on a general position.

| S-EPMC4051106 | biostudies-literature

Crystal structure of bis-(pyridine-4-carbo-thio-amide-κN1)bis-(thio-cyanato-κN)cobalt(II) methanol monosolvate.

Project description:The asymmetric unit of the title compound, [Co(NCS)2(C6H6NS)4]·CH3OH, consists of one cobalt(II) cation, two thio-cyanate anions, four pyridine-4-carbo-thio-amide ligands and one methanol mol-ecule that are located in general positions. The CoII cations are coordinated by two terminal N-bonding thio-cyanate anions and four N-bonding pyridine-4-carbo-thio-amide ligands, resulting in discrete and slightly distorted octa-hedral complexes. These complexes are linked into a three-dimensional network via inter-molecular N-H⋯S hydrogen bonding between the amino H atoms and the thio-cyanate and pyridine-4-carbo-thio-amide S atoms. From this arrangement, channels are formed in which the methanol solvate mol-ecules are embedded and linked to the host structure by inter-molecular O-H⋯S and N-H⋯O hydrogen bonding.

| S-EPMC5683514 | biostudies-literature

Crystal structure of bis-(3,5-di-methyl-pyridine-κN)bis-(methanol-κO)bis-(thio-cyanato-κN)cobalt(II).

Project description:The asymmetric unit of the title complex, [Co(NCS)2(C7H9N)2(CH3OH)2], comprises of one CoII cation located on a centre of inversion, one thio-cyanate ligand, one methanol ligand and one 3,5-di-methyl-pyridine ligand. The CoII cation is octa-hedrally coordinated by two terminal N-bonding thio-cyanate anions, two methanol mol-ecules and two 3,5-di-methyl-pyridine ligands into a discrete complex. The complex mol-ecules are linked by inter-molecular O-H⋯S hydrogen bonding into chains that elongate in the direction parallel to the b axis.

| S-EPMC5137618 | biostudies-literature

Crystal structures of tetra-kis-(pyridine-4-thio-amide-κN)bis-(thio-cyanato-κN)cobalt(II) monohydrate and bis-(pyridine-4-thio-amide-κN)bis-(thio-cyanato-κN)zinc(II).

Project description:Reaction of Co(NCS)2 and Zn(NCS)2 with 4-pyridine-thio-amide led to the formation of compounds with composition [Co(NCS)2(C6H6N2S)4]·H2O (1) and [Zn(NCS)2(C6H6N2S)2] (2), respectively. The asymmetric unit of compound 1, consists of one cobalt(II) cation, two thio-cyanate anions, four 4-pyridine-thio-amide ligands and one water mol-ecule whereas that of compound 2 comprises one zinc(II) cation that is located on a twofold rotation axis as well as one thio-cyanate anion and one 4-pyridine-thio-amide ligand in general positions. In the structure of compound 1, the cobalt(II) cations are octa-hedrally coordinated by two terminal N-bonding thio-cyanate anions and by the N atoms of four 4-pyridine-thio-amide ligands, resulting in discrete and slightly distorted octa-hedral complexes. These complexes are linked into a three-dimensional network via inter-molecular N-H⋯S hydrogen bonding between the amino H atoms and the thio-cyanate S atoms. From this arrangement, channels are formed in which the water mol-ecules are embedded and linked to the host structure by inter-molecular O-H⋯S and N-H⋯O hydrogen bonding. In the structure of compound 2, the zinc(II) cations are tetra-hedrally coordinated by two N-bonding thio-cyanate anions and the N atoms of two 4-pyridine-thio-amide ligands into discrete complexes. These complexes are likewise connected into a three-dimensional network by inter-molecular N-H⋯S hydrogen bonding between the amino H atoms and the thio-amide S atoms.

| S-EPMC5956324 | biostudies-literature

catena-Poly[[(2-{[2-(dimethyl-ammonio)-eth-yl]imino-meth-yl}pyridine-κ(2)N,N')bis-(thio-cyanato-κN)manganese(II)]-μ-thio-cyanato-κ(2)N:S].

Project description:In the title one-dimensional coordination polymer, [Mn(NCS)(3)(C(10)H(16)N(3))](n), the Mn(II) atom is coordinated by an N,N'-bidentate Schiff base and four thio-cyanate ligands in a distorted octa-hedral N(5)S geometry. Bridging thio-cyanate ligands inter-connect adjacent [Mn(NCS)(2)(C(10)H(16)N(3))] units, giving rise to helical chains extending along the b axis. The chains are further linked through N-H⋯S hydrogen bonds, leading to a three-dimensional supra-molecular network.

| S-EPMC3414171 | biostudies-literature

Crystal structure of bis-(tetra-methyl-thio-urea-κS)bis(thio-cyanato-κN)cobalt(II).

Project description:In the course of systematic investigations on the synthesis of Co(NCS)2 coordination compounds with different thio-urea ligands, the title compound, [Co(NCS)2(C5H12N2S)2], was obtained. In this compound the CoII cations are coordinated by two crystallographically independent N-bonded thio-cyanate anions and two tetra-methyl-thio-urea ligands into discrete complexes that are located in general positions and show a strongly distorted tetra-hedral geometry. Inter-molecular C-H⋯S hydrogen bonds of different strength can be observed between the discrete complexes, which are connected by pairs of hydrogen bonds into zigzag-like chains that elongate in the b-axis direction. These chains are additionally linked by strong C-H⋯S hydrogen bonds along the a-axis direction, resulting in the formation of layers that are parallel to the ab plane. There is also one weak intra-molecular C-H⋯S hydrogen bond between two neighbouring thio-urea ligands within the complexes. Comparison of the experimental PXRD pattern with that calculated from the single-crystal data prove that a pure phase has been obtained. Thermoanalytical investigations reveal that this compound melts at 364 K and decomposes upon further heating.

| S-EPMC7405571 | biostudies-literature

Synthesis, crystal structure and thermal properties of poly[bis-[μ2-3-(amino-meth-yl)pyridine]-bis-(thio-cyanato)-cobalt(II)].

Project description:The reaction of Co(NCS)2 with 3-(amino-meth-yl)pyridine as coligand leads to the formation of crystals of the title compound, [Co(NCS)2(C6H8N2)2] n , that were characterized by single-crystal X-ray analysis. In the crystal structure, the CoII cations are octa-hedrally coordinated by two terminal N-bonded thio-cyanate anions as well as two pyridine and two amino N atoms of four symmetry-equivalent 3-(amino-meth-yl)pyridine coligands with all pairs of equivalent atoms in a trans position. The CoII cations are linked by the 3-(amino-meth-yl)pyridine coligands into layers parallel to the ac plane. These layers are further linked by inter-molecular N-H⋯S hydrogen bonding into a three-dimensional network. The purity of the title compound was determined by X-ray powder diffraction and its thermal behavior was investigated by differential scanning calorimetry and thermogravimetry.

| S-EPMC8025872 | biostudies-literature

Bis(3-methyl-pyridine-κN)bis-(thio-cyanato-κN)zinc.

Project description:The asymmetric unit of the title compound, [Zn(NCS)(2)(C(6)H(7)N)(2)], consists of one Zn(2+) cation and two thio-cyanate anions, all situated on special positions with site symmetry .m., and one 3-methyl-pyridine ligand. The zinc cation is coordinated by four N atoms of two terminal N-bonded thio-cyanate anions and of two symmetry-related 3-methyl-pyridine co-ligands, defining a slightly distorted tetra-hedral coordination polyhedron.

| S-EPMC3151950 | biostudies-literature

Crystal structure of poly[[μ-4-(hy-droxy-meth-yl)pyridine-κ(2) N:O][4-(hy-droxy-meth-yl)pyridine-κN](μ-thio-cyanato-κ(2) N:S)(thio-cyanato-κN)cadmium].

Project description:The crystal structure of the title compound, [Cd(NCS)2(C6H7NO)2] n is made up of Cd(2+) cations that are coordinated by three thio-cyanate ligands and three 4-(hy-droxy-meth-yl)pyridine ligands within distorted N4OS octa-hedra. The asymmetric unit consists of one Cd(2+) cation, two thio-cyanate anions and two 4-(hy-droxy-meth-yl)pyridine ligands in general positions. Two Cd(2+) cations are linked by two μ-1,3 N- and S-bonding thio-ycanate anions into dimers which are further linked into branched chains along [100] by two μ-1,6 N- and O-bonding 4-(hy-droxy-meth-yl)pyridine ligands. One additional N-bonded 4-(hy-droxy-meth-yl)pyridine ligand and one additional N-bonded thio-cyanate anion are only terminally bonded to the metal cation. Inter-chain O-H⋯S hydrogen bonds between the hy-droxy H atoms and one of the thio-cyanate S atoms connect the chains into a three-dimensional network.

| S-EPMC4459314 | biostudies-literature