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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.

ABSTRACT: 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.

SUBMITTER: Li X

PROVIDER: S-EPMC2961922 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Bis[4-(4-methoxy-phen-yl)-4H-1,2,4-triazole-κN]bis-(thio-cyanato-κN)zinc(II).

Project description:In the title complex, [Zn(NCS)(2)(C(9)H(9)N(3)O)(2)], the Zn(II) ion is coordinated by two N atoms from the NCS(-) anions and two N atoms from two 4-(4-methoxy-phen-yl)-4H-1,2,4-triazole ligands in a slightly distorted tetra-hedral geometry. Three inter-molecular weak hydrogen-bonding contacts of the types C-H⋯N, C-H⋯S and C-H⋯O are observed in the crystal structure.

| S-EPMC2961330 | 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

Diaqua-bis-[bis-(pyrazin-2-yl) sulfide-κN (4)]bis-(thio-cyanato-κN)iron(II) monohydrate.

Project description:In the title compound [Fe(NCS)2(C8H6N4S)2(H2O)2]·H2O, the Fe(II) cation is coordinated by two N-bonded thio-cyanate anions, two N (4)-bonded bis-(pyrazin-2-yl) sulfide ligands and two water mol-ecules in an slightly distorted octa-hedral geometry. The Fe(II) cation is located on a center of inversion and the lattice water mol-ecule on a twofold rotation axis. The thio-cyanate anions, the coordinating water mol-ecules and the sulfide ligands occupy general positions. The complex mol-ecules and lattice water mol-ecules are linked into a three-dimensional network by O-H-N and O-H⋯O hydrogen bonds.

| S-EPMC3629478 | biostudies-literature

Diaqua-bis(2,5-di-4-pyridyl-1,3,4-thia-diazole-κN)bis-(thio-cyanato-κN)copper(II) dihydrate.

Project description:In the title compound, [Cu(NCS)(2)(C(12)H(8)N(4)S)(2)(H(2)O)(2)]·2H(2)O, the Cu atom is located on an inversion center and displays an octa-hedral geometry. Two N atoms of two different 2,5-di-4-pyridyl-1,3,4-thia-diazole ligands and two N atoms from two separate thio-cyanate mol-ecules form the equatorial plane, while two coordinated water mol-ecules are in axial positions. The crystal structure is consolidated by extensive hydrogen bonding, forming a two-dimensional network.

| S-EPMC2961085 | biostudies-literature

Bis[(1-methyl-1H-benzimidazol-2-yl)methanol-κN,O]bis-(thio-cyanato-κN)cobalt(II) methanol solvate.

Project description:In the mononuclear title complex, [Co(NCS)(2)(C(9)H(10)N(2)O)(2)]·CH(3)OH, the cobalt(II) ion is surrounded by two (1-methyl-1H-benzimidazol-2-yl)methanol bidentate ligands and two thio-cyanate ligands, and exhibits a distorted octa-hedral coordination by four N atoms and two O atoms. The structure is consolidated by hydrogen bonds between the organic ligand, thio-cyanate anion and the uncoordinated methanol mol-ecule, leading to a chain along [100].

| S-EPMC2979919 | biostudies-literature

The triclinic form of di-?-aqua-bis-[diaqua-bis-(thio-cyanato-?N)iron(II)]-1,4-bis-(4H-1,2,4-triazol-4-yl)benzene (1/3).

Project description:In the title compound, [Fe(2)(NCS)(4)(H(2)O)(6)]·3C(10)H(8)N(6), the centrosymmetric dinuclear complex contains two Fe(II) ions bridged by two aqua ligand O atoms, forming a four-membered ring. The slightly distorted octa-hedral coordination environment of the two Fe(II) ions is completed by two monodentate aqua ligands and two thio-cyanate ligands. One of the 1,4-bis-(4H-1,2,4-triazol-4-yl)benzene mol-ecules lies across an inversion center. In the crystal, O-H?N hydrogen bonds connect the components, forming a two-dimensional network parallel to (011). In addition, ?-? stacking inter-actions involving the benzene and triazole rings, with centroid-centroid distances in the range 3.502?(5)-3.787?(6)?Å, connect the two-dimensional hydrogen-bonded network into a three-dimensional network.

| S-EPMC3414109 | biostudies-literature

Diaqua-(2,5-di-4-pyridyl-1,3,4-thia-diazole-κN)bis-(thio-cyanato-κN)nickel(II) dihydrate.

Project description:In the title mononuclear complex, [Ni(NCS)(2)(C(12)H(8)N(4)S)(2)(H(2)O)(2)]·2H(2)O, the Ni(II) atom is located on an inversion center and is octa-hedrally coordinated by four N atoms from two 2,5-di-4-pyridyl-1,3,4-thia-diazole (bpt) ligands and two thio-cyanate mol-ecules forming the equatorial plane; the axial positions are occupied by two O atoms of coordinated water mol-ecules. O-H⋯O, O-H⋯N and O-H⋯S hydrogen bonds, involving the uncoordinated water molecules, result in the formation of a sheet structure developing parallel to (021).

| S-EPMC2959476 | biostudies-literature

Aqua-(hexa-methyl-enetetra-mine-?N)bis-(methanol-?O)bis-(thio-cyanato-?N)cobalt(II).

Project description:In the title complex, [Co(NCS)(2)(C(6)H(12)N(4))(CH(4)O)(2)(H(2)O)], the six-coordinated Co atom has a slightly distorted octa-hedral geometry. The molecules are linked by intermolecular O-H?S and O-H?N hydrogen bonds, forming a three- dimensional crystal structure. Intramolecular C-H?N and C-H?O hydrogen bonds are also present.

| S-EPMC2960658 | 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 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

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