Search

The crystal structure of the title compound, [Co(NCS)2(C12H9NO)2(CH3OH)2], consists of cobalt(II) cations that are octahedrally coordinated by two N-terminal bonding thiocyanato anions, two methanol molecules and two 4-benzoylpyridine ligands into discrete complexes that are located on centres of inversion. These complexes are further linked by O—H...O hydrogen bonding between the hydroxy H atom of the methanol ligand and the carbonyl O atom of the 4-benzoylpyridine ligand of a neighboring complex into layers parallel to (101). No pronounced intermolecular interactions are observed between these layers.

The crystal structure of the title compound, [Co(NCS)2(C2H3N)2(C12H9NO)2], consists of cobalt(II) cations that are octahedrally coordinated by the N atoms of two terminal thiocyanate anions, two acetonitrile molecules and two 4-benzoylpyridine ligands. The discrete complexes are located on centres of inversion. They are connected by weak intermolecular C—H...O and C—H...S hydrogen-bonding interactions between one of the pyridine H atoms and the carbonyl O atom, and between one of the methyl H atoms of the acetonitrile molecule and the thiocyanate S atoms into layers parallel to (101). No pronounced intermolecular interactions are observed between these layers.

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 thiocyanate ligand, one methanol ligand and one 3,5-dimethylpyridine ligand. The CoII cation is octahedrally coordinated by two terminal N-bonding thiocyanate anions, two methanol molecules and two 3,5-dimethylpyridine ligands into a discrete complex. The complex molecules are linked by intermolecular O—H...S hydrogen bonding into chains that elongate in the direction parallel to the b axis.

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 thiocyanate anion, one water molecule and one 2-chloropyridine ligand all occupying general positions. The NiII cation is octahedrally coordinated by two terminal N-bound thiocyanato ligands, two aqua ligands and two N-bound 2-chloropyridine ligands into discrete complexes. Individual complexes are linked by intermolecular O—H...S and O—H...Cl hydrogen-bonding interactions into a layered network extending parallel to the bc plane. Weak interactions of types C—H...S and C—H...Cl consolidate the crystal packing.

In the crystal structure of the title compound, [Co(NCS)2(C6H8N2)2(H2O)2]·C6H8N2, the CoII cation is coordinated by the N atoms of two terminal thiocyanate anions, the O atoms of two water molecules and two N atoms of two 2,6-dimethylpyrazine ligands. The coordination sphere of the resulting discrete complex is that of a slightly distorted octahedron. The asymmetric unit comprises a CoII cation and half of a 2,5-dimethylpyrazine ligand, both of which are located on centres of inversion, and a water ligand, a 2,6-dimethylpyrazine ligand and one thiocyanate anion in general positions. In the crystal, the discrete complexes are arranged in such a way that cavities are formed in which the 2,5-dimethylpyrazine solvent molecules are located. The coordination of the 2,5-dimethylpyrazine molecules to the metal is apparently hindered due to the bulky methyl groups in vicinal positions to the N atoms, leading to a preferential coordination of the 2,6-dimethylpyrazine ligands. The discrete complexes are linked by O—H...N hydrogen bonds between one water H atom and the non-coordinating N atom of the 2,6-dimethylpyrazine ligands. The remaining water H atom is hydrogen bonded to one N atom of the 2,5-dimethylpyrazine solvent molecule. This arrangement leads to the formation of a two-dimensional network extending parallel to (010).

In the crystal structure of the title complex, [Mn(NCS)2(C6H8N2)(H2O)3]·2C6H8N2, the MnII cation is coordinated by two terminally N-bonded thiocyanate anions, three water molecules and one 2,6-dimethylpyrazine ligand within a slightly distorted N3O3 octahedral geometry; the entire complex molecule is generated by the application of a twofold rotation axis. The asymmetric unit also contains an uncoordinating 2,5-dimethylpyrazine ligand in a general position. Obviously, the coordination to the 2,6-dimethylpyrazine ligand is preferred because coordination to the 2,5-dimethylpyrazine is hindered due to the bulky methyl group proximate to the N atom. The discrete complexes are linked by water-O—H...N(2,6-dimethylpyzazine/2,5-dimethylpyzazine) hydrogen bonding, forming a three-dimensional network. In the crystal, molecules are arranged in a way that cavities are formed in which unspecified, disordered solvent molecules reside. These were modelled employing the SQUEEZE routine in PLATON [Spek (2015). Acta Cryst. C71, 9–18]. The composition of the unit cell does not take into account the presence of the unspecified solvent.

In the crystal structure of the title compound, [Co(NCS)2(C6H8N2)2(H2O)2]·3C6H8N2, the CoII cation is coordinated by two terminally N-bound thiocyanate anions, two water molecules and two 2,6-dimethylpyrazine ligands, forming a discrete complex with a slightly distorted octahedral N4O2 coordination environment. The asymmetric unit contains one CoII cation and three halves of 2,5-dimethylpyrazine solvate molecules, all entities being completed by inversion symmetry, as well as one thiocyanate anion, an aqua ligand and a 2,6-dimethylpyrazine ligand, all in general positions. In the crystal, discrete complexes are arranged in a way that cavities are formed where the noncoordinating 2,5-dimethylpyrazine molecules are located. The coordination of the latter to the metal is prevented due to the bulky methyl groups in vicinal positions to the N atoms, leading to a preferential coordination through the 2,6-dimethylpyrazine ligands. The complex molecules are linked by O—H...N hydrogen bonds between the water H atoms and the N atoms of 2,5-dimethylpyrazine solvent molecules, leading to a layered structure extending parallel to (100).

The whole molecule of the title compound, [Mn(NCS)2(CH3OH)2(C5H6N2)2], is generated by inversion symmetry. The MnII ion, which is located on an inversion center, is coordinated by two 4-(dimethylamino)pyridine ligands, two methanol ligands and two terminally N-bonded thiocyanate anions, forming a slightly distorted octahedron. In the crystal, molecules are linked by O—H...S hydrogen bonds, forming chains extending along the a-axis direction.

In the crystal structure of the title compound, [Ni(NCS)2(H2O)4]·4C6H8N2, the NiII cations are coordinated by four water ligands and two trans-coordinated terminally N-bonded thiocyanate anions in a slightly distorted octahedral geometry. The asymmetric unit consists of a Ni2+ cation located on a centre of inversion, two water molecules and one thiocyanate ligand, as well as two uncoordinated 2,5-dimethylpyrazine ligands in general positions. In the crystal, discrete complex molecules are linked into a three-dimensional network by O—H...N hydrogen bonding between the water H atoms and the 2,5-dimethylpyrazine N atoms.

In the crystal structure of the mononuclear title compound, [Mn(NCS)2(C10H8N2)2]·C10H8N2, the MnII cation is coordinated in an all-cis configuration by two N-bound thiocyanate anions and two 2,2′-bipyridine ligands within a slightly distorted octahedral environment. The asymmetric unit consists of one MnII cation, two thiocyanate anions and two 2,2′-bipyridine ligands, as well as two non-coordinating 2,2′-bipyridine ligands that are each located on centres of inversion. In the crystal structure, the discrete [Mn(NCS)2(C10H8N2)2] complex molecules are arranged in such a way that cavities are formed, in which the solvent 2,2′-bipyridine molecules are located. Apart from van der Waals forces, there are no remarkable intermolecular interactions present in the crystal structure.

In the crystal structure of the polymeric title compound, [Mn(NCS)2(C10H8N2)]n, the MnII cations are coordinated by one chelating 2,2′-bipyridine ligand and four thiocyanate anions (two N- and two S-coordinating), forming a distorted [MnN4S2] octahedron. The asymmetric unit consists of one manganese cation located on a twofold rotation axis and half of a 2,2′-bipyridine ligand, the other half being generated by the same twofold rotation axis, as well as one thiocyanate anion in a general position. The MnII cations are linked by two pairs of μ1,3-bridging thiocyanate ligands into chains along the c axis; because the N atoms of the 2,2′-bipyridine ligands, as well as the N and the S atoms of the thiocyanate anions, are each cis-coordinating, these chains show a zigzag arrangement.

In the crystal structure of the title compound, [Mn(C5H7O2)2(NCS)(C5H5N)], the Mn3+ cation is coordinated by two acetylacetonate anions, one terminal thiocyanate anion and one pyridine ligand within a slightly distorted octahedron. The asymmetric unit consists of half a complex molecule with the Mn3+ cation, the thiocyanate anion and the pyridine ligand located on a mirror plane. The acetylacetonate anion is in a general position. The title compound was previously described [Stults et al. (1975). Inorg. Chem. 14, 722–730] but could only be obtained as a powder. Suitable crystals have now been obtained for a high-precision single-crystal structure determination.

In the crystal structure of the title compound, [Mn(C5H7O2)2(C12H8N2)], the Mn2+ cation is coordinated by one bidentate 1,10-phenanthroline ligand and two acetylacetonate anions within a slightly distorted N2O4 octahedron. The asymmetric unit consists of one Mn2+ cation situated on a twofold rotation axis, one half of a 1,10-phenanthroline ligand and one acetylacetonate anion. In comparison with the previous determination based on visually estimated intensities recorded on precession photographs, the current redetermination with image-plate data reveals bond lengths and angles with much higher precision.

Reaction of Co(NCS)2 with 4-(hydroxymethyl)pyridine (hmpy) leads to the formation of six new coordination compounds with the composition [Co(NCS)2(hmpy))4] (1), [Co(NCS)2(hmpy)4] × H2O (1-H2O), [Co(NCS)2(hmpy)2(EtOH)2] (2), [Co(NCS)2(hmpy)2(H2O)2] (3), [Co(NCS)2(hmpy)2]n∙4 H2O (4) and [Co(NCS)2(hmpy)2]n (5). They were characterized by single crystal and powder X-ray diffraction experiments, thermal and elemental analysis, IR and magnetic measurements. Compound 1 and 1-H2O form discrete complexes, in which the Co(II) cations are octahedrally coordinated by two terminal thiocyanato anions and four 4-(hydroxymethyl)pyridine ligands. Discrete complexes were also observed for compounds 2 and 3 where two of the hmpy ligands were substituted by solvent, either water (3) or ethanol (2). In contrast, in compounds 4 and 5, the Co(II) cations are linked into chains by bridging 4-(hydroxymethyl)pyridine ligands. The phase purity was checked with X-ray powder diffraction. Thermogravimetric measurements showed that compound 3 transforms into 5 upon heating, whereas the back transformation occurs upon resolvation. Magnetic measurements did not show any magnetic exchange via the hmpy ligand for compound 5.