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Crystal structure of bis-(pyridine-4-carbo-thio-amide-κN¹)bis-(thio-cyanato-κN)cobalt(II) methanol monosolvate.

ABSTRACT: The asymmetric unit of the title compound, [Co(NCS)₂(C₆H₆NS)₄]·CH₃OH, consists of one cobalt(II) cation, two thio-cyanate anions, four pyridine-4-carbo-thio-amide ligands and one methanol mol-ecule that are located in general positions. The Co^II cations are coordinated by two terminal N-bonding thio-cyanate anions and four N-bonding pyridine-4-carbo-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 and pyridine-4-carbo-thio-amide S atoms. From this arrangement, channels are formed in which the methanol solvate mol-ecules are embedded and linked to the host structure by inter-molecular O-H⋯S and N-H⋯O hydrogen bonding.

SUBMITTER: Neumann T

PROVIDER: S-EPMC5683514 | biostudies-literature | 2017 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of bis-(pyridine-4-carbo-thio-amide-κN1)bis-(thio-cyanato-κN)cobalt(II) methanol monosolvate.

Neumann Tristan T Jess Inke I Näther Christian C

Acta crystallographica. Section E, Crystallographic communications 20171031 Pt 11

The asymmetric unit of the title compound, [Co(NCS)2(C6H6NS)4]·CH3OH, consists of one cobalt(II) cation, two thio-cyanate anions, four pyridine-4-carbo-thio-amide ligands and one methanol mol-ecule that are located in general positions. The CoII cations are coordinated by two terminal N-bonding thio-cyanate anions and four N-bonding pyridine-4-carbo-thio-amide ligands, resulting in discrete and slightly distorted octa-hedral compl ...[more]

PMID: 29152374

Similar Datasets

Crystal structure of catena-poly[[[bis-(pyridine-4-carbo-thio-amide-κN (1))cadmium]-di-μ-thio-cyanato-κ(2) N:S;κ(2) S:N] methanol disolvate].

Project description:The asymmetric unit of the polymeric title compound, {[Cd(NCS)2(C6H6N2S)]·2CH3OH} n , consists of one cadmium(II) cation that is located on a centre of inversion as well as one thio-cyanate anion, one pyridine-4-carbo-thio-amide ligand and one methanol mol-ecule in general positions. The Cd(II) cations are octa-hedrally coordinated by the pyridine N atom of two pyridine-4-carbo-thio-amide ligands and by the S and N atoms of four thio-cyanate anions and are linked into chains along [010] by pairs of anionic ligands. These chains are further linked into layers extending along (201) by inter-molecular N-H⋯O and O-H⋯S hydrogen bonds. One of the amino H atoms of the pyridine-4-carbo-thio-amide ligand is hydrogen-bonded to the O atom of a methanol mol-ecule, and a symmetry-related methanol mol-ecule is the donor group to the S atom of another pyridine-4-carbo-thio-amide ligand whereby each of the pyridine-4-carbo-thio-amide ligands forms two pairs of centrosymmetric N-H⋯S and O-H⋯S hydrogen bonds. The methanol mol-ecules are equally disordered over two orientations.

| S-EPMC4778826 | biostudies-literature

Crystal structure of bis(4-benzoyl-pyridine-κN)bis(methanol-κO)bis(thio-cyanato-κN)nickel(II) methanol monosolvate.

Project description:The asymmetric unit of the title compound, [Ni(NCS)2(C12H9NO)2(CH3OH)2]·CH3OH, comprises one NiII cation, two thio-cyanate anions, two 4-benzoyl-pyridine coligands, two coordinating, as well as one non-coordinating methanol mol-ecule. The NiII cation is coordinated by two terminally N-bonded thio-cyanate anions, the N atoms of two 4-benzoyl-pyridine coligands and the O atoms of two methanol ligands within a slightly distorted octa-hedron. Individual complexes are linked by inter-molecular O-H⋯S hydrogen bonding into chains parallel to [010] that are further connected into layers parallel to (10) by C-H⋯S hydrogen bonds. Additional C-H⋯O hydrogen-bonding inter-actions lead to the formation of a three-dimensional network that limits channels extending parallel to [010] in which the non-coordinating methanol mol-ecules are located. They are hydrogen-bonded to the coordinating methanol mol-ecules. X-ray powder diffraction revealed that the compound could not be prepared as a pure phase.

| S-EPMC6362648 | 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

Crystal structure of bis-(2,2'-bi-pyridine-κ(2) N,N')bis-(thio-cyanato-κN)mang-anese(II) 2,2'-bi-pyridine monosolvate.

Project description:In the crystal structure of the mononuclear title compound, [Mn(NCS)2(C10H8N2)2]·C10H8N2, the Mn(II) cation is coordin-ated in an all-cis configuration by two N-bound thio-cyanate anions and two 2,2'-bi-pyridine ligands within a slightly distorted octa-hedral environment. The asymmetric unit consists of one Mn(II) cation, two thio-cyanate anions and two 2,2'-bi-pyridine ligands, as well as two non-coordinating 2,2'-bi-pyridine ligands that are each located on centres of inversion. In the crystal structure, the discrete [Mn(NCS)2(C10H8N2)2] complex mol-ecules are arranged in such a way that cavities are formed, in which the solvent 2,2'-bi-pyridine mol-ecules are located. Apart from van der Waals forces, there are no remarkable inter-molecular inter-actions present in the crystal structure.

| S-EPMC4331911 | biostudies-literature

Crystal structure of bis-(4-benzoyl-pyridine-κN)bis-(methanol-κO)bis-(thio-cyanato-κN)cobalt(II).

Project description:The crystal structure of the title compound, [Co(NCS)2(C12H9NO)2(CH3OH)2], consists of cobalt(II) cations that are octa-hedrally coordinated by two N-terminal bonding thio-cyanato anions, two methanol mol-ecules and two 4-benzoyl-pyridine ligands into discrete complexes that are located on centres of inversion. These complexes are further linked by O-H⋯O hydrogen bonding between the hy-droxy H atom of the methanol ligand and the carbonyl O atom of the 4-benzoyl-pyridine ligand of a neighboring complex into layers parallel to (101). No pronounced inter-molecular inter-actions are observed between these layers.

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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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Crystal structure of bis-[μ-N-(η2-prop-2-en-1-yl)piperidine-1-carbo-thio-amide-κ2 S:S]bis-[(thio-cyanato-κN)copper(I)].

Project description:The title crystalline compound, [Cu2(NCS)2(C9H16N2)2], was obtained from the reaction of copper(I) thio-cyanate (CuSCN) with (N-prop-2-en-1-yl)piperidine-1-carbo-thio-amide as a chelating and bridging thio-urea ligand in chloro-benzene. The Cu2S2 core of the dimeric mol-ecule is situated on a crystallographic inversion centre. The copper atom is coordinated by a thio-cyanate nitro-gen atom, each sulfur atom of the two thio-urea ligands, and the C=C double bond of the ligand in a distorted tetra-hedral geometry. The dimers are linked by N-H⋯S hydrogen bonds, forming a network extending in two dimensions parallel to (100).

| S-EPMC7643236 | biostudies-literature

Crystal structure of bis-(3,5-di-methyl-pyridine-κN)bis-(methanol-κO)bis-(thio-cyanato-κN)cobalt(II).

Project description:The asymmetric unit of the title complex, [Co(NCS)2(C7H9N)2(CH3OH)2], comprises of one CoII cation located on a centre of inversion, one thio-cyanate ligand, one methanol ligand and one 3,5-di-methyl-pyridine ligand. The CoII cation is octa-hedrally coordinated by two terminal N-bonding thio-cyanate anions, two methanol mol-ecules and two 3,5-di-methyl-pyridine ligands into a discrete complex. The complex mol-ecules are linked by inter-molecular O-H⋯S hydrogen bonding into chains that elongate in the direction parallel to the b axis.

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Crystal structures of (aceto-nitrile-κN)tris-(pyridine-4-thio-amide-κN)bis-(thio-cyanate-κN)cobalt(II) aceto-nitrile disolvate and tetra-kis-(pyridine-4-thio-amide-κN)bis-(thio-cyanate-κN)nickel(II) methanol penta-solvate.

Project description:Reaction of Co(NCS)2 or Ni(NCS)2 with pyridine-4-thio-amide in different solvents led to the formation of two compounds with composition [Co(NCS)2(C2H3N)(C6H6N2S)3]·2CH3CN (1) and [Ni(NCS)2(C6H6N2S)4]·5CH3OH (2), respectively. The asymmetric unit of compound 1 consists of one cobalt(II) cation, two thio-cyanate anions, three pyridine-4-thio-amide ligands, one coordinating and two solvate aceto-nitrile mol-ecules. One of the two aceto-nitrile solvate mol-ecules is disordered over two sets of sites in a 0.62:0.38 ratio. The asymmetric unit of compound 2 comprises of one nickel(II) cation, two thio-cyanate anions, four N-bonding pyridine-4-thio-amide ligands and five methanol solvate mol-ecules. In compound 1, the cobalt(II) cations are octa-hedrally coordinated into discrete complexes by two terminal N-bonding thio-cyanate anions, the N atoms of three pyridine-4-thio-amide ligands and one aceto-nitrile mol-ecule. Additional aceto-nitrile solvate mol-ecules are located between the complexes,. The complexes and solvate mol-ecules are linked via inter-molecular hydrogen bonding into a three-dimensional framework. In compound 2, the nickel(II) cations are likewise octa-hedrally coordinated by two terminal N-bonded thio-cyanate anions and four N-bonding pyridine-4-thio-amide ligands into discrete complexes. From their arrangement cavities are formed, in which the methanol solvate mol-ecules are located. Again, the complexes and solvate mol-ecules are linked into a three-dimensional framework by inter-molecular hydrogen bonding.

| S-EPMC6038621 | biostudies-literature

Crystal structure, synthesis and thermal properties of bis-(4-benzoyl-pyridine-κN)bis-(iso-thio-cyanato-κN)bis-(methanol-κN)iron(II).

Project description:In the crystal structure of the title compound, [Fe(NCS)2(C12H9NO)2(CH4O)2], the FeII cations are octa-hedrally coordinated by two N atoms of 4-benzoyl-pyridine ligands, two N atoms of two terminal iso-thio-cyanate anions and two methanol mol-ecules into discrete complexes that are located on centres of inversion. These complexes are linked via inter-molecular O-H⋯O hydrogen bonds between the methanol O-H H atoms and the carbonyl O atoms of the 4-benzoyl-pyridine ligands, forming layers parallel to (101). Powder X-ray diffraction proved that a pure sample was obtained but that this compound is unstable and transforms into an unknown crystalline phase within several weeks. However, the solvent mol-ecules can be removed by heating in a thermobalance, which for the aged sample as well as the title compound leads to the formation of a compound with the composition Fe(NCS)2(4-benzoyl-pyridine)2, which exhibits a powder pattern that is similar to that of Mn(NCS)2(4-benzoyl-pyridine)2.

| S-EPMC7001824 | biostudies-literature