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

ABSTRACT: 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].

SUBMITTER: Werner J

PROVIDER: S-EPMC4438791 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structure of poly[[(2,2'-bi-pyridine)manganese(II)]-di-?-thio-cyanato].

Project description:In the crystal structure of the polymeric title compound, [Mn(NCS)2(C10H8N2)] n , the Mn(II) cations are coordinated by one chelating 2,2'-bi-pyridine ligand and four thio-cyanate anions (two N- and two S-coordinating), forming a distorted [MnN4S2] octa-hedron. The asymmetric unit consists of one manganese cation located on a twofold rotation axis and half of a 2,2'-bi-pyridine ligand, the other half being generated by the same twofold rotation axis, as well as one thio-cyanate anion in a general position. The Mn(II) cations are linked by two pairs of ?1,3-bridging thio-cyanate ligands into chains along the c axis; because the N atoms of the 2,2'-bi-pyridine ligands, as well as the N and the S atoms of the thio-cyanate anions, are each cis-coordinating, these chains show a zigzag arrangement.

| S-EPMC4257407 | 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 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

Bis(ethanol-?O)bis-(pyridine-3-carb-aldehyde-?N thio-semicarbazone)bis-(thio-cyanato-?N)iron(II)-pyridine-3-carbaldehyde thio-semicarbazone (1/2).

Project description:The crystal structure of the title Fe(II) complex, [Fe(NCS)(2)(C(7)H(8)N(4)S)(2)(CH(3)CH(2)OH)(2)]·2C(7)H(8)N(4)S, based on the Schiff base ligand pyridine-3-carbaldehyde thio-semicarbazone (pct), results from the cocrystallization of an Fe(II) coordination compound together with two of the pct ligands. The complex unit is mononuclear, with the central Fe(II) ion located on a crystallographic centre of inversion and coordinated by four N atoms from two pct ligands and two thio-cyanate anions. The slightly distorted octa-hedral coordination is completed by two O atoms from ethanol mol-ecules. The crystal packing is accomplished inter-molecular N-H?S hydrogen bonds.

| S-EPMC2977344 | 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

Crystal structure of bis-(thio-cyanato-?S)bis-(thio-urea-?S)mercury(II).

Project description:In the title complex, [Hg(NCS)2(CH4N2S)2], the Hg(II) atom is four-coordinated having an irregular four-coordinate geometry composed of four thione S atoms of two thio-cyanate groups and two thio-urea groups. The S-Hg-S angles are 172.02?(9)° for the trans-thio-cyanate S atoms and 90.14?(5)° for the cis-thio-urea S atoms. The mol-ecular structure is stabilized by an intra-molecular N-H?S hydrogen bond, which forms an S(6) ring motif. In the crystal, mol-ecules are linked by a number of N-H?N and N-H?S hydrogen bonds, forming a three-dimensional framework. The first report of the crystal structure of this compound appeared in 1966 [Korczynski (1966 ?). Rocz. Chem. 40, 547-569] with an extremely high R factor of 17.2%, and no mention of how the data were collected.

| S-EPMC4384628 | biostudies-literature

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

Project description: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.

| S-EPMC3884993 | 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-(tetra-methyl-thio-urea-?S)bis(thio-cyanato-?N)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 di-aqua-bis-(2-chloro-pyridine-?<i>N</i>)bis-(thio-cyanato-?<i>N</i>)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

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