Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Suckert S

PROVIDER: S-EPMC5382634 | biostudies-literature | 2017 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Suckert Stefan S Werner Julia J Jess Inke I Näther Christian C

Acta crystallographica. Section E, Crystallographic communications 20170331 Pt 4

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 c ...[more]

PMID: 28435733

Similar Datasets

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

Project description:The crystal structure of the title compound, [Co(NCS)2(C2H3N)2(C12H9NO)2], consists of cobalt(II) cations that are octa-hedrally coordinated by the N atoms of two terminal thio-cyanate anions, two aceto-nitrile mol-ecules and two 4-benzoyl-pyridine ligands. The discrete complexes are located on centres of inversion. They are connected by weak inter-molecular C-H⋯O and C-H⋯S hydrogen-bonding inter-actions between one of the pyridine H atoms and the carbonyl O atom, and between one of the methyl H atoms of the aceto-nitrile mol-ecule and the thio-cyanate S atoms into layers parallel to (101). No pronounced inter-molecular inter-actions are observed between these layers.

| S-EPMC5347055 | biostudies-literature

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

Project description: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 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.

| S-EPMC5683514 | biostudies-literature

Crystal structure of bis(4-benzoyl-pyridine-?N)bis(methanol-?O)bis(thio-cyanato-?N)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-(tetra-methyl-thio-urea-κS)bis(thio-cyanato-κN)cobalt(II).

Project description:In the course of systematic investigations on the synthesis of Co(NCS)2 coordination compounds with different thio-urea ligands, the title compound, [Co(NCS)2(C5H12N2S)2], was obtained. In this compound the CoII cations are coordinated by two crystallographically independent N-bonded thio-cyanate anions and two tetra-methyl-thio-urea ligands into discrete complexes that are located in general positions and show a strongly distorted tetra-hedral geometry. Inter-molecular C-H⋯S hydrogen bonds of different strength can be observed between the discrete complexes, which are connected by pairs of hydrogen bonds into zigzag-like chains that elongate in the b-axis direction. These chains are additionally linked by strong C-H⋯S hydrogen bonds along the a-axis direction, resulting in the formation of layers that are parallel to the ab plane. There is also one weak intra-molecular C-H⋯S hydrogen bond between two neighbouring thio-urea ligands within the complexes. Comparison of the experimental PXRD pattern with that calculated from the single-crystal data prove that a pure phase has been obtained. Thermoanalytical investigations reveal that this compound melts at 364 K and decomposes upon further heating.

| S-EPMC7405571 | biostudies-literature

Crystal structure of bis-(3,5-di-methyl-pyridine-?N)bis-(methanol-?O)bis-(thio-cyanato-?N)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.

| S-EPMC5137618 | biostudies-literature

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

Project description:The asymmetric unit of the title compound, [Fe(NCS)2(C12H9NO)4], consists of an FeII ion that is located on a centre of inversion, as well as two 4-benzoyl-pyridine ligands and one thio-cyanate anion in general positions. The FeII ions are coordinated by two N-terminal-bonded thio-cyanate anions and four 4-benzoyl-pyridine ligands into discrete complexes with a slightly distorted octa-hedral geometry. These complexes are further linked by weak C-H⋯O hydrogen bonds into chains running along the c-axis direction. Upon heating, this complex loses half of the 4-benzoyl-pyridine ligands and transforms into a compound with the composition Fe(NCS)2(4-benzoyl-pyridine)2, that might be isotypic to the corresponding MnII compound and for which the structure is unknown.

| S-EPMC6658939 | biostudies-literature

Synthesis, crystal structure and thermal properties of bis-(aceto-nitrile-κN)bis-(3-bromo-pyridine-κN)bis-(thio-cyanato-κN)cobalt(II).

Project description:Single crystals of the title compound, [Co(NCS)2(C5H4BrN)2(C2H3N)2], were obtained by the reaction of Co(NCS)2 with 3-bromo-pyridine in aceto-nitrile. The CoII cations lie on crystallographic inversion centers and are coordinated by two N-bonded thio-cyanate anions, two 3-bromo-pyridine and two aceto-nitrile ligands thereby forming slightly distorted CoN6 octa-hedra. In the crystal, these complexes are linked by C-H⋯S and C-H⋯N hydrogen bonds into a three-dimensional network. In the direction of the crystallographic b-axis, the complexes are arranged into columns with neighboring 3-bromo-pyridine ligands stacked onto each other, indicating π-π inter-actions. The CN stretching vibration of the thio-cyanate anions is observed at 2066 cm-1, in agreement with the presence of only N-bonded anionic ligands. TG-DTA measurements reveal that in the first mass loss the aceto-nitrile ligands are removed and that in the second step, half of a 3-bromo-pyridine ligand is lost, leading to the formation of a polymeric compound with the composition [(Co(NCS)2)2(C5H4BrN)3] n already reported in the literature.

| S-EPMC9815133 | 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

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.

| S-EPMC5050783 | biostudies-literature