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Bis[5-chloro-2-(phenyl-diazenyl-?N(2))pyridine-?N]bis-(thio-cyanato-?N)iron(II).

ABSTRACT: In the title complex, [Fe(NCS)(2)(C(11)H(8)ClN(3))(2)], the Fe(II) atom is coordinated by two N atoms from the thio-cyanate ligands and four N atoms from two chelating 5-chloro-2-(phenyl-diazen-yl)pyridine ligands, generating a fairly regular FeN(6) octa-hedral coordination geometry. The thio-cyanate ions are in a cis disposition and the pyridine N atoms are in a trans orientation. In the crystal, a short inter-molecular Cl?S contact [3.366?(3)?Å] is observed.

SUBMITTER: Vittaya L

PROVIDER: S-EPMC3344310 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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Bis[5-chloro-2-(phenyl-diazenyl-κN(2))pyridine-κN]bis-(thio-cyanato-κN)iron(II).

Vittaya Luksamee L Leesakul Nararak N Pakawatchai Chaveng C Saithong Saowanit S Hansongnern Kanidtha K

Acta crystallographica. Section E, Structure reports online 20120413 Pt 5

In the title complex, [Fe(NCS)(2)(C(11)H(8)ClN(3))(2)], the Fe(II) atom is coordinated by two N atoms from the thio-cyanate ligands and four N atoms from two chelating 5-chloro-2-(phenyl-diazen-yl)pyridine ligands, generating a fairly regular FeN(6) octa-hedral coordination geometry. The thio-cyanate ions are in a cis disposition and the pyridine N atoms are in a trans orientation. In the crystal, a short inter-molecular Cl⋯S contact [3.366 (3) Å] is observed. ...[more]

PMID: 22590076

Similar Datasets

Bis(ethanol-?O)bis-(pyridine-3-carb-aldehyde-?N thio-semicarbazone)bis-(thio-cyanato-?N)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.

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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.

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

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

Project description: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.

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Di-μ-aqua-bis-[diaqua-bis(thio-cyanato-κN)iron(II)] 4-(4-chloro-phen-yl)-1,2,4-triazole hexa-solvate.

Project description:The title complex, [Fe(2)(NCS)(4)(H(2)O)(6)]·6C(8)H(6)ClN(3), comprises two distorted octa-hedral iron(II) centers straddling a crystallographic inversion center and bridged by two aqua O atoms to form a quadrilateral core. The aqua O atom of the core is involved in hydrogen bonds with the triazole N atoms of the solvent mol-ecules, generating one-dimensional ladder motifs, and three inter-molecular C-H⋯S hydrogen bonds, forming a three-dimensional hydrogen-bonding network.

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Crystal structure of di-aqua-bis-(2-chloro-pyridine-κN)bis-(thio-cyanato-κN)nickel(II).

Project description:The asymmetric unit of the title compound, [Ni(NCS)2(C5H4ClN)2(H2O)2], consists of one nickel(II) cation that is located on a center of inversion and one thio-cyanate anion, one water mol-ecule and one 2-chloro-pyridine ligand all occupying general positions. The NiII cation is octa-hedrally coordinated by two terminal N-bound thio-cyanato ligands, two aqua ligands and two N-bound 2-chloro-pyridine ligands into discrete complexes. Individual complexes are linked by inter-molecular O-H⋯S and O-H⋯Cl hydrogen-bonding inter-actions into a layered network extending parallel to the bc plane. Weak inter-actions of types C-H⋯S and C-H⋯Cl consolidate the crystal packing.

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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 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

Crystal structure of di-aqua-bis-(4-cyano-pyridine-κN)bis-(thio-cyanato-κN)iron(II) 4-cyano-pyridine disolvate.

Project description:The asymmetric unit of the title compound, [Fe(NCS)2(C6H4N2)2(H2O)2]·2C6H4N2, comprises one FeII cation occupying an inversion centre as well as one thio-cyanate anion, one water mol-ecule and two 4-cyano-pyridine mol-ecules in general positions. The iron cations are coordinated by two N-bonded thiocyanate anions, two (pyridine)N-bonded 4-cyano-pyridine ligands and two water mol-ecules into discrete complexes. The resulting coordination polyhedron can be described as a slightly distorted octa-hedron. The discrete complexes are connected through centrosymmetric pairs of (pyridine)C-H⋯N(cyano) hydrogen bonds into chains that are further linked into a three-dimensional network through inter-molecular O-H⋯N hydrogen bonds involving the 4-cyano-pyridine solvent mol-ecules.

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Tetra-kis(ethyl pyridine-4-carboxyl-ate-?N)bis-(thio-cyanato-?N)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.

| S-EPMC3379116 | biostudies-literature

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