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Crystal structure of bis-(isonicotinamide-?N (1))bis-(thio-cyanato-?N)zinc.

ABSTRACT: The asymmetric unit of the title complex, [Zn(SCN)2(C6H6N2O)2], consists of one Zn(2+) cation located on a twofold rotation axis, as well as of one thio-cyanate anion and one neutral isonicotinamide ligand, both occupying general positions. The Zn(2+) cation is tetra-hedrally coordinated into a discrete complex by the N atoms of two symmetry-related thio-cyanate anions and by the pyridine N atoms of two isonicotinamide ligands. The complexes are linked by inter-molecular C-H?O and N-H?O, and weak inter-molecular N-H?S hydrogen-bonding inter-actions into a three-dimensional network.

SUBMITTER: Neumann T

PROVIDER: S-EPMC4992907 | biostudies-other | 2016 Jul

REPOSITORIES: biostudies-other

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Crystal structure of bis-(isonicotinamide-κN (1))bis-(thio-cyanato-κN)zinc.

Neumann Tristan T Jess Inke I Näther Christian C

Acta crystallographica. Section E, Crystallographic communications 20160610 Pt 7

The asymmetric unit of the title complex, [Zn(SCN)2(C6H6N2O)2], consists of one Zn(2+) cation located on a twofold rotation axis, as well as of one thio-cyanate anion and one neutral isonicotinamide ligand, both occupying general positions. The Zn(2+) cation is tetra-hedrally coordinated into a discrete complex by the N atoms of two symmetry-related thio-cyanate anions and by the pyridine N atoms of two isonicotinamide ligands. The complexes are linked by inter-molecular C-H⋯O and N-H⋯O, and wea ...[more]

PMID: 27555932

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Crystal structure of tetra-kis-(isonicotinamide-κN)bis-(thio-cyanato-κN)cobalt(II)-isonicotinamide-ethanol (1/2/1).

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

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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).

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Crystal structure of bis-[4-(4-chloro-benz-yl)pyridine-?N]bis-(thio-cyanato-?N)zinc.

Project description:In the crystal structure of the title compound, [Zn(NCS)2(C12H10ClN)2], the Zn(2+) cation is N-coordinated by two terminally bonded thio-cyante anions and by two 4-(4-chloro-benz-yl)pyridine ligands within a slightly distorted tetra-hedron. The asymmetric unit consists of half of the discrete complex, the central Zn(2+) cation of which is located on a twofold rotation axis. The discrete complexes are linked into layers via a weak inter-molecular hydrogen-bonding inter-action, with a H?Cl distance of 2.85?Å and a C-H?Cl angle of 151°. These layers extend parallel to the ab plane and are held together by dispersion forces only.

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Crystal structure of bis-(4-acetyl-pyridine-κN)bis-(ethanol-κO)bis-(thio-cyanato-κN)manganese(II).

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Bis(2-amino-benzothia-zole-κN)bis-(thio-cyanato-κN)zinc(II).

Project description:The Zn(II) ion in the title complex, [Zn(NCS)(2)(C(7)H(6)N(2)S)(2)], is tetra-hedrally coordinated within an N(4) donor set defined by two N atoms of two terminal isothio-cyanate ligands and by two heterocyclic N atoms of two different 2-amino-benzothia-zole ligands. This arrangement is stabilized by intra-molecular N-H⋯N hydrogen bonds. In the crystal structure, mol-ecules are linked through N-H⋯S hydrogen bonds to form a two-dimensional array.

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Crystal structure of bis-(tetra-methyl-thio-urea-κS)bis-(thio-cyanato-κN)nickel(II).

Project description:In the course of our investigations regarding transition-metal thio-cyanates with thio-urea derivatives, the title compound, [Ni(NCS)2(C5H12N2S)2], was obtained. The asymmetric unit consists of one thio-cyanate anion and one tetra-methyl-thio-urea mol-ecule on general positions, as well as one NiII cation that is located on a twofold rotational axis. In this compound, discrete complexes are formed in which the NiII cations are surrounded by two trans-N-bonding thio-cyanate anions as well as two trans-S-bonding tetra-methyl-thio-urea mol-ecules within a distorted square-planar coordination geometry. The discrete complexes are linked by pairs of weak C-H⋯S hydrogen bonds between the thio-cyanate S and one of the tetra-methyl-thio-urea methyl hydrogen atoms into chains along the crystallographic a- and c-axis directions, which are combined into layers parallel to the ac plane. X-ray powder diffraction proves that a pure crystalline phase was obtained and measurements using thermogravimetry and differential thermoanalysis reveal that the compound decomposes at about 408 K, where all tetra-methyl-thio-urea mol-ecules are lost.

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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.

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