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Bis{2-[(2,4-dimethyl-phen-yl)imino-meth-yl]pyridine-κN,N'}bis-(thio-cyanato-κN)cadmium.

ABSTRACT: The title compound, [Cd(NCS)(2)(C(14)H(14)N(2))(2)], features crystallographic inversion symmetry with the Cd(II) ion located on a centre of inversion. The Cd(II) ion is six-coordinated in a slightly distorted octa-hedral geometry with the thiocyanate anions in axial positions. The angle between the benzene and pyridine rings is 69.64 (9)°. An inter-molecular C-H⋯S hydrogen bond stabilizes the crystal structure.

SUBMITTER: Malekshahian M

PROVIDER: S-EPMC3274934 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Bis-(3-tert-butyl-pyridine-κN)bis-(4-tert-butyl-pyridine-κN)bis(thio-cyanato-κN)cadmium.

Project description:The asymmetric unit of the title compound, [Cd(NCS)(2)(C(9)H(13)N)(4)], consists of one Cd(II) cation located on a centre of inversion, one thio-cyanate anion, one 3-tert-butyl-pyridine ligand and one 4-tert-butyl-pyridine ligand in general positions. The tert-butyl group of the 4-tert-butyl-pyridine ligand is disordered over two sets of sites in a 0.25:0.75 ratio and was refined using a split model. The Cd(II) cation is coordinated by six N atoms of four tert-butyl-pyridine ligands and two N-bonded thio-cyanate anions within a slightly distorted octa-hedral coordination environment.

| S-EPMC3515124 | biostudies-literature

[2-(3,5-Dimethyl-1H-pyrazol-1-yl-κN)-1,10-phenanthroline-κN,N']bis-(thio-cyanato-κN)cadmium(II).

Project description:In the title complex, [Cd(NCS)(2)(C(17)H(14)N(4))], the Cd(II) ion is in a distorted trigonal-bipyramidal CdN(5) coordination geometry. In the crystal structure, there is a π-π stacking inter-action involving a pyrazole ring and a symmetry-related pyridine ring with a centroid-centroid distance of 3.578 (3) Å.

| S-EPMC2970966 | biostudies-literature

Bis[2-(amino-meth-yl)pyridine-κN,N']bis-(thio-cyanato-κN)copper(II).

Project description:In the title complex, [Cu(NCS)(2)(C(6)H(8)N(2))(2)], the Cu(II) atom, lying on an inversion center, adopts a Jahn-Teller distorted octahedral CuN(6) coordination geometry. The two bidentate 2-amino-methyl-pyridine ligands are coordinated in a trans fashion, while the two thio-cyanate ligands are at the axial positions and coordinate to the Cu atom in a bent mode with a C-N-Cu angle of 127.49 (10)°. Inter-molecular N-H⋯N and N-H⋯S hydrogen bonds link the copper complex mol-ecules into an infinite two-dimensional network.

| S-EPMC2977581 | biostudies-literature

catena-Poly[[[2,6-bis-(pyrazol-1-yl-κN)pyridine-κN](nitrato-κO,O')cadmium(II)]-μ-thio-cyanato-κN:S].

Project description:In the title crystal structure, [Cd(NCS)(NO(3))(C(11)H(9)N(5))](n), the unique Cd(II) ion is coordinated in a distorted penta-gonal-bipyramidal environment. The axial thio-cyanate ligands act in a μ(1,3)-bridging mode to connect symmetry-related Cd(II) ions into one-dimensional chains along [010]. In addition, there are inter-molecular C-H⋯O contacts between chains.

| S-EPMC2959772 | 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

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

Project description:The asymmetric unit of the title compound, [Cd(NCS)(2)(C(5)H(5)N)(2)](n), consists of two crystallographically independent Cd(II) cations, four thio-cyanato anions and four pyridine ligands. The Cd(II) atoms are each coordinated by four N atoms from two pyridine ligands and two thio-cyanato anions, each in a mutually cis orientation, and by two S atoms from two adjacent thio-cyanato anions within a slightly distorted octa-hedral coordination environment. The Cd(II) atoms are μ-1,3-bridged via the thio-cyanato anions into polymeric chains parallel to [001]. The Cd(II)⋯Cd(II) intra-chain separations range between 5.9688 (6) and 6.0195 (6) Å, whereas the shortest Cd(II)⋯Cd(II) inter-chain separations are 7.8272 (7) and 8.6312 (6) Å.

| S-EPMC3099960 | 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

Bis[2-(1H-pyrazol-3-yl-κN)pyridine-κN]dithio-cyanato-κN,κS-cadmium(II).

Project description:The mol-ecular structure of the mononuclear complex, [Cd(SCN)(2)(C(8)H(7)N(3))(2)], contains a Cd(II) atom in a distorted octa-hedral coordination defined by five N atoms from two bidentate chelate 2-(1H-pyrazol-3-yl)pyridine ligands and by one SCN(-) anion. The second SCN(-) anion provides its S atom for completion of the coordination sphere. The complex is linked to four others by N-H⋯N and N-H⋯S hydrogen-bonding inter-actions between the pyrazol N-H group and the terminal S and N atoms of neighbouring SCN(-) anions. This arrangement leads to the formation of sheets parallel to (100). Face-to-face π-π stacking inter-actions with shortest inter-planar distances of 3.805 (2) and 3.696 (2) Å help to consolidate the crystal packing.

| S-EPMC2983401 | biostudies-literature

catena-Poly[[(2-{[2-(dimethyl-ammonio)-eth-yl]imino-meth-yl}pyridine-?(2)N,N')bis-(thio-cyanato-?N)manganese(II)]-?-thio-cyanato-?(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

Pyridinium bis-(pyridine-κN)tetra-kis-(thio-cyanato-κN)ferrate(III).

Project description:In the title compound, (C5H6N)[Fe(NCS)4(C5H5N)2], the Fe(III) ion is coordinated by four thio-cyanate N atoms and two pyridine N atoms in a trans arrangement, forming an FeN6 polyhedron with a slightly distorted octa-hedral geometry. Charge balance is achieved by one pyridinium cation bound to the complex anion via N-H⋯S hydrogen bonding. The asymmetric unit consists of one Fe(III) cation, four thio-cyanate anions, two coordinated pyridine mol-ecules and one pyridinium cation. The structure exhibits π-π inter-actions between pyridine rings [centroid-centroid distances = 3.7267 (2), 3.7811 (2) and 3.8924 (2) Å]. The N atom and a neighboring C atom of the pyridinium cation are statistically disordered with an occupancy ratio of 0.58 (2):0.42 (2).

| S-EPMC3684869 | biostudies-literature

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