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Crystal structure of bis-[4-(di-methyl-amino)-pyridine-κN (1)]bis-(methanol-κO)bis-(thio-cyanato-κN)manganese(II).

ABSTRACT: 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.

SUBMITTER: Suckert S

PROVIDER: S-EPMC4420091 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Bis(acetyl-acetonato-κO,O')(methanol-κO)(thio-cyanato-κN)manganese(III).

Project description:In the title complex, [Mn(C(5)H(7)O(2))(2)(NCS)(CH(4)O)], the Mn(III) atom has a slightly distorted octa-hedral coordination formed by five O atoms and one N atom. The equatorial positions are occupied by four O atoms of two acetyl-acetonate ligands, while the axial positions are occupied by the N atom of the thio-cyanate anion and the O atom of the methanol mol-ecule. In the crystal structure, complex mol-ecules are linked by an inter-molecular O-H⋯S hydrogen bond, forming a chain running along [101].

| S-EPMC2959789 | 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

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

[(2-Pyrid-yl)methanol-κN,O]bis-(thio-cyanato-κN)manganese(II).

Project description:In the title complex, [Mn(NCS)(2)(C(6)H(7)NO)(2)], the Mn(II) atom shows site symmetry 2. The distorted octa-hedral environment of Mn(II) is defined by two N atoms [Mn-N = 2.217 (4) and 2.132 (5) Å] and one O atom [Mn-O 2.305 (4) Å]. There are inter-molecular O-H⋯S hydrogen bonds and inter-molecular π-π stacking inter-actions between adjacent (2-pyrid-yl)methano-late ligands [centroid-centroid distance = 3.5569 (7) Å], leading to a chain structure running along [100].

| S-EPMC2983231 | biostudies-literature

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.

| S-EPMC3515098 | 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

Poly[bis-(methanol-κO)tris-(μ-pyrimidine-κN:N')tetra-kis(thio-cyanato-κN)dinickel(II)].

Project description:In the crystal structure of the title compound, [Ni(2)(NCS)(4)(C(4)H(4)N(2))(3)(CH(3)OH)(2)](n), each nickel(II) cation is coordinated by three N-bonded pyrimidine ligands, two N-bonded thio-cyanate anions and one O-bonded methanol mol-ecule in a distorted octa-hedral environment. The asymmetric unit consists of one nickel cation, two thio-cyanate anions and one methanol mol-ecule in general positions, as well as one pyrimidine ligand located around a twofold rotation axis. The crystal structure consists of μ-N:N' pyrimidine-bridged zigzag-like nickel thio-cyanate chains; these are further linked by μ-N:N-bridging pyrimidine ligands into layers which are stacked perpendicular to the b axis. The layers are connected via weak O-H⋯S hydrogen bonding.

| S-EPMC2968860 | 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

catena-Poly[[bis-(pyridine-κN)cadmium]-di-μ(2)-thio-cyanato-κN:S;κS:N].

Project description:The asymmetric unit of the title compound, [Cd(NCS)(2)(C(5)H(5)N)(2)](n), consists of two crystallographically independent Cd(II) cations, four thio-cyanato anions and four pyridine ligands. The Cd(II) atoms are each coordinated by four N atoms from two pyridine ligands and two thio-cyanato anions, each in a mutually cis orientation, and by two S atoms from two adjacent thio-cyanato anions within a slightly distorted octa-hedral coordination environment. The Cd(II) atoms are μ-1,3-bridged via the thio-cyanato anions into polymeric chains parallel to [001]. The Cd(II)⋯Cd(II) intra-chain separations range between 5.9688 (6) and 6.0195 (6) Å, whereas the shortest Cd(II)⋯Cd(II) inter-chain separations are 7.8272 (7) and 8.6312 (6) Å.

| S-EPMC3099960 | biostudies-literature

Bis(chloro-acetato)-κO,O';κO-methanol-κO-bis-(2-methyl-furo[3,2-c]pyridine-κN)copper(II).

Project description:In the title compound, [Cu(C(2)H(2)ClO(2))(2)(C(8)H(7)NO)(2)(CH(4)O)], the Cu(2+) ion has a highly distorted square-bipyramidal (4 + 1 + 1) coordination environment and is bonded to three carboxyl-ate O atoms of two chloro-acetate anions (monodentate and asymmetrically bidentate), two pyridine N atoms of 2-methyl-furo[3,2-c]pyridine and one methanol O atom. There is an intra-molecular O-H⋯O hydrogen bond. Inter-molecular C-H⋯O hydrogen bonds result in the formation of a three-dimensional network and π-π stacking inter-actions [3.44-3.83 Å] are observed between symmetry-related rings of 2-methyl-furo[3,2-c]pyridine. Further inter-actions in the crystal structure are a short Cl⋯Cl inter-action [3.384 (2)Å] and C-H⋯π inter-actions between 2-methyl-furo[3,2-c]pyridine rings.

| S-EPMC2961079 | biostudies-literature

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