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Bis(acetyl-acetonato-κ(2) O,O')(pyridine-κN)(thio-cyanato-κN)manganese(III): a redetermination using data from a single crystal.

ABSTRACT: In the crystal structure of the title compound, [Mn(C5H7O2)2(NCS)(C5H5N)], the Mn(3+) cation is coordin-ated by two acetyl-acetonate anions, one terminal thio-cyanate anion and one pyridine ligand within a slightly distorted octa-hedron. The asymmetric unit consists of half a complex mol-ecule with the Mn(3+) cation, the thio-cyanate anion and the pyridine ligand located on a mirror plane. The acetyl-acetonate 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.

SUBMITTER: Suckert S

PROVIDER: S-EPMC3884993 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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.

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Bis(3-methyl-pyridine-κN)bis-(thio-cyanato-κN)zinc.

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| 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.

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

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| S-EPMC4420091 | biostudies-literature

Crystal structure of bis-(4-acetyl-pyridine-?N)bis-(ethanol-?O)bis-(thio-cyanato-?N)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].

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Bis(acetyl-acetonato-?O,O')(methanol-?O)(thio-cyanato-?N)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-other

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.

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Bis{2-[(2,4-dimethyl-phen-yl)imino-meth-yl]pyridine-κN,N'}bis-(thio-cyanato-κN)cadmium.

Project description:The title compound, [Cd(NCS)(2)(C(14)H(14)N(2))(2)], features crystallographic inversion symmetry with the Cd(II) ion located on a centre of inversion. The Cd(II) ion is six-coordinated in a slightly distorted octa-hedral geometry with the thiocyanate anions in axial positions. The angle between the benzene and pyridine rings is 69.64 (9)°. An inter-molecular C-H⋯S hydrogen bond stabilizes the crystal structure.

| S-EPMC3274934 | 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

(Pyridino-15-crown-5-κN,O,O',O'',O''')bis-(thio-cyanato-κN)manganese(II).

Project description:The title complex, [Mn(NCS)(2)(C(13)H(19)NO(4))] {systematic name: [3,6,9,12-tetra-oxa-18-aza-bicyclo-[12.3.1]octa-cosa-14(18),15,17-triene-κ(5)N,O,O',O'',O''']bis-(thio-cyanato-κN)manganese(I-I)}, was obtained by the reaction of MnCl(2)·4H(2)O and NaSCN with pyridino-15-crown-5. The Mn(2+) center has a distorted penta-gonal bipyramidal coordination geometry, coordinated by four O atoms and one N atom of the pyridino-15-crown-5 mol-ecule, and by the N atoms of the two NCS(-) ligands.

| S-EPMC2960950 | biostudies-literature

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