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Poly[(?3-pyridine-4-carboxyl-ato-?(3) O:O':N)(pyridin-1-ium-4-carboxyl-ato-?O)(thio-cyanato-?N)cobalt(II)].

ABSTRACT: In the title compound, [Co(C6H5NO2)(NCS)(C6H4NO2)] n , the Co(2+) cation is coordinated by one N and two O atoms of three bridging pyridine-4-carboxyl-ate anions, one O atom of one zwitterionic pyridinium-4-carboxyl-ate ligand and one terminal N-bonding thio-cyanate anion within a distorted N2O3 trigonal bipyramid. The bridging coordination mode of the ligands leads to the formation of layers parallel to (-101). N-H?O hydrogen-bonding inter-actions within the layers and S?S contacts of 3.257?(3)?Å between the layers lead to the cohesion of the structure.

SUBMITTER: Neumann T

PROVIDER: S-EPMC3588705 | biostudies-literature | 2012 Dec

REPOSITORIES: biostudies-literature

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Poly[(μ3-pyridine-4-carboxyl-ato-κ(3) O:O':N)(pyridin-1-ium-4-carboxyl-ato-κO)(thio-cyanato-κN)cobalt(II)].

Neumann Tristan T Werner Julia J Jess Inke I Näther Christian C

Acta crystallographica. Section E, Structure reports online 20121103 Pt 12

In the title compound, [Co(C6H5NO2)(NCS)(C6H4NO2)] n , the Co(2+) cation is coordinated by one N and two O atoms of three bridging pyridine-4-carboxyl-ate anions, one O atom of one zwitterionic pyridinium-4-carboxyl-ate ligand and one terminal N-bonding thio-cyanate anion within a distorted N2O3 trigonal bipyramid. The bridging coordination mode of the ligands leads to the formation of layers parallel to (-101). N-H⋯O hydrogen-bonding inter-actions within the layers and S⋯S contacts of 3.257 (3) ...[more]

PMID: 23468670

Similar Datasets

cis-Tri-aqua-[1,1'-(propane-1,3-di-yl)bis-(pyridin-1-ium-4-carboxyl-ato)-κO]bis-(thio-cyanato-κN)manganese(II) dihydrate.

Project description:In the title compound, [Mn(NCS)2(C15H14N2O4)(H2O)3]·2H2O, the metal ion is octa-hedrally coordinated by three water mol-ecules, one carboxyl-ate O atom from a 1,1'-(propane-1,3-di-yl)bis-(pyridinium-4-carboxyl-ate) ligand and two N atoms from two thio-cyanate anions in cis positions, forming a mononuclear complex mol-ecule. In the crystal, mol-ecules are connected into a three-dimensional architecture through O-H⋯O hydrogen bonds involving water mol-ecules and carboxyl-ate groups.

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Bis(3-acetyl-pyridine-κN)bis-(methanol-κO)bis-(thio-cyanato-κN)nickel(II).

Project description:In the crystal structure of the title compound, [Ni(NCS)(2)(C(7)H(7)NO)(2)(CH(3)OH)(2)], the Ni(2+) cations are coordinated by two thio-cyanate anions, two 3-acetyl-pyridine ligands and two methanol mol-ecules within slightly distorted NiN(4)O(2) octa-hedra. The asymmetric unit consists of one Ni(2+) cation, which is located on a center of inversion, as well as one thio-cyanate anion, one 3-acetyl-pyridine ligand and one methanol mol-ecule in general positions. The discrete complexes are linked by two pairs of O-H⋯O hydrogen bonds between the hy-droxy H atom and the acetyl O atom into chains along the b axis.

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Tetra-kis(ethyl pyridine-4-carboxyl-ate-κN)bis-(thio-cyanato-κN)cobalt(II).

Project description:In the title complex, [Co(NCS)(2)(C(8)H(9)NO(2))(4)], the Co(II) atom is six-coordinated by four N atoms from four ethyl pyridine-4-carboxyl-ate ligands in the equatorial plane and two N atoms of thio-cyanate ligands in the axial positions, showing a slightly distorted octa-hedral geometry. The structure exhibits disorder in one of the ethyl chains, which was refined using a two-site model with 0.70 (6):0.30 (6) occupancy.

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Poly[(μ-1,3-thio-cyanato-κN,S)(iso-nicotin-ato-κN,O)(ethanol-κO)cadmium(II)].

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Bis(ethanol-κO)bis-(pyridine-3-carb-aldehyde-κN thio-semicarbazone)bis-(thio-cyanato-κN)iron(II)-pyridine-3-carbaldehyde thio-semicarbazone (1/2).

Project description:The crystal structure of the title Fe(II) complex, [Fe(NCS)(2)(C(7)H(8)N(4)S)(2)(CH(3)CH(2)OH)(2)]·2C(7)H(8)N(4)S, based on the Schiff base ligand pyridine-3-carbaldehyde thio-semicarbazone (pct), results from the cocrystallization of an Fe(II) coordination compound together with two of the pct ligands. The complex unit is mononuclear, with the central Fe(II) ion located on a crystallographic centre of inversion and coordinated by four N atoms from two pct ligands and two thio-cyanate anions. The slightly distorted octa-hedral coordination is completed by two O atoms from ethanol mol-ecules. The crystal packing is accomplished inter-molecular N-H⋯S hydrogen bonds.

| S-EPMC2977344 | biostudies-literature

Bis{N(2),N(6)-bis-[(pyridin-3-yl)meth-yl]pyridine-2,6-dicarboxamide-κN}bis-(methanol-κO)bis-(thio-cyanato-κN)cobalt(II).

Project description:In the title compound, [Co(NCS)(2)(C(19)H(17)N(5)O(2))(2)(CH(3)OH)(2)], the Co(II) atom lies on an inversion center and is coordinated by two isothio-cyanate N atoms, two O atoms of methanol mol-ecules and two pyridine N atoms in a slightly distorted octa-hedral environment. Inter-molecular O-H⋯O and N-H⋯N hydrogen bonds join the complex mol-ecules into layers parallel to the bc plane.

| S-EPMC3379100 | biostudies-literature

(Piperazin-1-ium-κN)tris-(thio-cyanato-κN)zinc(II).

Project description:Hydro-thermal reaction of NaSCN, piperazine, Zn(II) and 2,6-naphthalenedicarboxylic acid in aqueous solutions gave rise to the title complex, [Zn(NCS)(3)(C(4)H(11)N(2))]. The Zn(II) atom is four-coordinate with distorted tetra-hedral geometry and lies in a mirror plane. N-H⋯S hydrogen bonds assemble the mol-ecules to form a three-dimensional framework.

| S-EPMC2915073 | biostudies-literature

Crystal structure of bis-(4-acetyl-pyridine-κN)bis-(ethanol-κO)bis-(thio-cyanato-κN)manganese(II).

Project description:In the crystal structure of the title compound, [Mn(NCS)2(C7H7NO)2(C2H5OH)2], the Mn(II) atom is coordin-ated by two N-bonded thio-cyanate anions, two 4-acetyl-pyridine ligands, and two ethanol mol-ecules within a slightly distorted octa-hedron. The asymmetric unit consits of one manganese cation, located on a centre of inversion, one thio-cyanate anion, one 4-acetyl-pyridine ligand and one ethanol mol-ecule in general positions. The discrete complexes are connected by inter-molecular O-H⋯O hydrogen bonds between the alcohol OH group and the carbonyl O atom into chains parallel to [011].

| S-EPMC4438791 | biostudies-literature

catena-Poly[[bis-(μ-5-bromo-pyridine-3-carboxyl-ato-κO:O')dicopper(II)]-bis-(μ-5-bromo-pyridine-3-carboxyl-ato)-κO,O':N;κN:O,O'].

Project description:The title compound [Cu(2)(C(6)H(3)BrNO(2))(4)](n), forms sheets in the bc plane. The structure features the dinuclear paddle-wheel cage motif common to copper(II) carboxyl-ates. The polymeric structure is achieved through bridging between binuclear units by the pyridyl donors of two of the four carboxyl-ates of the cage. Each cage engages in axial bonding at each copper atom to a pyridyl nitro-gen donor and extends two 5-bromo-pyridine-3-carboxyl-ate groups to bridge to adjacent binuclear sites in the bc plane. Each cage is linked to four adjacent cages in the plane. The intra-dimer Cu⋯Cu distance is 2.6465 (5) Å. The remaining 5-bromo-pyridine-3-carboxyl-ate groups project into the inter-lamellar domain and inter-digitate in pairs from each neighboring layer.

| S-EPMC3009202 | biostudies-literature

Aqua-(2,2'-bipyridine-κN,N')bis-(thio-phene-2-carboxyl-ato-κO)copper(II).

Project description:In the title complex, [Cu(C(5)H(3)O(2)S)(2)(C(10)H(8)N(2))(H(2)O)], the Cu(II) atom is in a distorted square-pyramidal environment, with an Addison τ parameter of 0.07. The coordination geometry is defined by two nitro-gen donors from the 2,2'-bipyridine ligand, two O atoms from two monodentate thio-phene-2-carboxyl-ate ligands and one O atom from the aqua ligand. The latter occupies the elongated apical position. This is different from the related structure of aqua-(1,10-phenanthroline)bis-(thio-phene-2-carboxyl-ato)copper(II) where a carboxyl-ate O atom is in the apical position [Feng et al. (2005 ▶). Z. Kristallogr. New Cryst. Struct.220, 429-430]. The uncoordinated carboxyl-ate O atoms form intra- and inter-molecular hydrogen bonds to the aqua ligand. Two neighbouring 2,2'-bipyridine ligands form a π-stack, with a centroid-centroid distance of 3.683 (2) Å.

| S-EPMC2977207 | biostudies-literature

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