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Trans-bis-(3-tert-butyl-pyridine-κN)bis-(4-tert-butyl-pyridine-κN)bis-(thio-cyanato-κN)manganese(II).

ABSTRACT: The asymmetric unit of the title compound [Mn(NCS)(2)(C(9)H(13)N)(4)] consists of one Mn(II) cation located on a center of inversion, one thio-cyanato 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 0.60:0.40 ratio. The Mn(II) cation is coordinated by six N atoms of four tert-butyl-pyridine ligands and two N-bonded thio-cyanato anions within a slightly distorted octa-hedral coordination environment.

SUBMITTER: Reinert T

PROVIDER: S-EPMC3515098 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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

Crystal structure of bis-[4-(di-methyl-amino)-pyridine-κN (1)]bis-(methanol-κO)bis-(thio-cyanato-κN)manganese(II).

Project description:The whole mol-ecule of the title compound, [Mn(NCS)2(CH3OH)2(C5H6N2)2], is generated by inversion symmetry. The Mn(II) ion, which is located on an inversion center, is coordinated by two 4-(di-methyl-amino)-pyridine ligands, two methanol ligands and two terminally N-bonded thio-cyanate anions, forming a slightly distorted octa-hedron. In the crystal, mol-ecules are linked by O-H⋯S hydrogen bonds, forming chains extending along the a-axis direction.

| S-EPMC4420091 | 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

Bis-(3-tert-butyl-pyridine-?N)bis-(4-tert-butyl-pyridine-?N)bis(thio-cyanato-?N)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-other

trans-Tetra-kis(1-allyl-1H-imidazole-κN)bis-(thio-cyanato-κN)nickel(II).

Project description:The structure of the title compound, [Ni(NCS)(2)(C(6)H(8)N(2))(4)], consists of isolated mol-ecules of [Ni(NCS)(2)(Aim)(4)] (Aim = 1-allyl-imidazole), which contain a distorted octa-hedral NiN(6) chromophore. The NCS(-) anions are trans and four N atoms from the 1-allyl-imidazole ligands define the equatorial plane. The mean Mn-N(Aim) and Mn-N(NCS) distances are 2.105 (2) and 2.098 (2) Å, respectively. Weak C-H⋯N inter-actions contribute to the crystal packing stability.

| S-EPMC3274912 | biostudies-literature

(Pyridino-15-crown-5-κN,O,O',O'',O''')bis-(thio-cyanato-κN)manganese(II).

Project description:The title complex, [Mn(NCS)(2)(C(13)H(19)NO(4))] {systematic name: [3,6,9,12-tetra-oxa-18-aza-bicyclo-[12.3.1]octa-cosa-14(18),15,17-triene-κ(5)N,O,O',O'',O''']bis-(thio-cyanato-κN)manganese(I-I)}, was obtained by the reaction of MnCl(2)·4H(2)O and NaSCN with pyridino-15-crown-5. The Mn(2+) center has a distorted penta-gonal bipyramidal coordination geometry, coordinated by four O atoms and one N atom of the pyridino-15-crown-5 mol-ecule, and by the N atoms of the two NCS(-) ligands.

| S-EPMC2960950 | biostudies-literature

Aqua-bis(nicotinamide-κN)(thio-cyanato-κN)copper(II).

Project description:In the title compound, [Cu(NCS)(2)(C(6)H(6)N(2)O)(2)(H(2)O)], the Cu atom adopts a square-based pyramidal CuN(4)O coordination, with the water O atom in the apical position. The pairs of N-bonded nicotinamide ligands and thio-cyanate anions in the basal plane are in a trans configuration. In the crystal structure, the mol-ecules are connected into sheets by N-H⋯O and O-H⋯O hydrogen bonds.

| S-EPMC2960236 | biostudies-literature

Bis(2-amino-benzothia-zole-κN)bis-(thio-cyanato-κN)zinc(II).

Project description:The Zn(II) ion in the title complex, [Zn(NCS)(2)(C(7)H(6)N(2)S)(2)], is tetra-hedrally coordinated within an N(4) donor set defined by two N atoms of two terminal isothio-cyanate ligands and by two heterocyclic N atoms of two different 2-amino-benzothia-zole ligands. This arrangement is stabilized by intra-molecular N-H⋯N hydrogen bonds. In the crystal structure, mol-ecules are linked through N-H⋯S hydrogen bonds to form a two-dimensional array.

| S-EPMC2969946 | biostudies-literature

Crystal structure of bis-(4-acetyl-pyridine-?N)bis-(ethanol-?O)bis-(thio-cyanato-?N)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

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

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