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Poly[bis-(μ(2)-pyrimidine-κN:N')bis-(seleno-cyanato-κN)zinc].

ABSTRACT: The asymmetric unit of the title compound, [Zn(NCSe)(2)(C(4)H(4)N(2))(2)](n), consists of one Zn(2+) cation located on a special position with site symmetry 2/m, one seleno-cyanate anion on a mirror plane and one pyrimidine ligand on a twofold rotation axis. The zinc cation is coordinated by six N atoms of four pyrimidine ligands and two N-bonded seleno-cyanate anions in mutually trans orientations within a slightly distorted octa-hedral coordination environment. The Zn atoms are μ-1,3-bridged via the pyrimidine ligands into a polymeric layer extending parallel to (100).

SUBMITTER: Boeckmann J

PROVIDER: S-EPMC3151927 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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

Poly[bis-(cyanato-κN)bis-(μ-pyrazine-κN:N')cobalt(II)].

Project description:In the crystal structure of the title compound, [Co(NCO)(2)(C(4)H(4)N(2))(2)](n), the Co(II) cation is coordinated by four N-bonded pyrazine ligands and two N-bonded cyanate anions in a slightly distorted octa-hedral geometry. The crystal structure consists of μ-N:N' pyrazine-bridged cobalt cyanate chains; these are further linked by additional μ-N:N'-bridging pyrazine ligands into layers, which are stacked perpendicular to the crystallographic a axis. The C and O atoms in both crystallographic independent cyanate anions are disordered in two orientations and were refined using a split model with site occupation factor ratios of 0.75/0.25 and 0.7/0.3.

| S-EPMC2968858 | biostudies-literature

Bis(cyanato-κN)bis-(5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidine-κN)zinc.

Project description:In the title complex, [Zn(NCO)(2)(C(7)H(8)N(4))(2)], the Zn(II) ion exhibits a distorted tetra-hedral coordination geometry. The coordination environment is formed by two 5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidine (dmtp) ligands, coordinated through the N atom in position 3, and two cyanate anions inter-acting by their N atoms. Supra-molecular dimers are generated by stacking inter-actions between the pyrimidine rings of two ligands related by an inversion center [centroid-centroid distance = 3.5444 (18) Å].

| S-EPMC3052141 | biostudies-literature

Bis(pyridazine-?N)bis-(seleno-cyanato-?N)zinc.

Project description:The asymmetric unit of the title compound, [Zn(NCSe)(2)(C(4)H(4)N(2))(2)], consists of one Zn(II) cation, located on a twofold rotation axis, one seleno-cyanate anion and one pyridazine ligand in general positions. The Zn(II) atom is coordinated by two N-atoms of two pyridazine ligands and two terminal N-bonded seleno-cyanate anions within a slightly distorted tetra-hedral coordination environment. In the crystal, discrete complex mol-ecules are arranged in layers parallel to the ac plane, with Zn(II)?Zn(II) distances of 8.0906?(6)?Å along the a axis and of 9.0490?(7) or 9.3604?(7)?Å along the c axis. The complex mol-ecules are further linked via weak Se?Se inter-actions, with Se?Se distances of 3.8235?(9)?Å.

| S-EPMC3089317 | biostudies-literature

Poly[bis-(acetonitrile-κN)di-μ-thio-cyanato-κN,S;κS,N-nickel(II)].

Project description:In the title compound, [Ni(NCS)(2)(CH(3)CN)(2)](n), the Ni(II) cation is coordinated by two N-bonded and two S-bonded thio-cyanate anions, as well as two acetonitrile mol-ecules in an octa-hedral NiN(4)S(2) coordination mode. The asymmetric unit comprises one nickel cation, two thio-cyanate anions and two actonitrile mol-ecules. In the crystal, the Ni(II) cations are connected by bridging thio-cyanate anions into a three-dimensional coordination network.

| S-EPMC3051924 | biostudies-literature

catena-Poly[[dimethyl-bis-(thio-cyanato-κN)tin(IV)]-μ-(4,4'-bipyridine-κN:N')].

Project description:The title dimethyl-tin diisothio-cyanate adduct of 4,4'-bipyridine, [Sn(CH(3))(2)(NCS)(2)(C(10)H(8)N(2))](n), adopts a chain motif in which the N-heterocycle functions as a bridge to adjacent all-trans octa-hedrally coordinated tin atoms. The Sn(IV) atom lies on a special position of 2/m site symmetry, the methyl C atom on a special position of 2 site symmetry, and the thio-cyanate and 4,4'-bipyridine on a special position of m site symmetry.

| S-EPMC3052023 | biostudies-literature

Diaqua-bis-(seleno-cyanato-?N)bis-(pyrimidine-?N)manganese(II).

Project description:In the crystal structure of the title compound, [Mn(NCSe)(2)(C(4)H(4)N(2))(2)(H(2)O)(2)], the manganese(II) cation is coordinated by two N-bonded pyrimidine ligands, two N-bonded seleno-cyanate anions and two O-bonded water mol-ecules in a distorted octa-hedral coordination mode. The asymmetric unit consists of one manganese(II) cation, located on a centre of inversion, as well as one seleno-cyanate anion, one water mol-ecule and one pyrimidine ligand in general positions. The crystal structure consists of discrete building blocks of composition [Mn(NCSe)(2)(pyrimidine)(2)(H(2)O)(2)], which are connected into layers parallel to (101) by strong water-pyrimidine O-H?N hydrogen bonds.

| S-EPMC3007293 | 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

Poly[tetra-kis-(seleno-cyanato-?N)bis-(methanol-?O)tris-(?-pyrimidine-?N:N')dicobalt(II)].

Project description:In the title compound, [Co(2)(NCSe)(4)(C(4)H(4)N(2))(3)(CH(3)OH)(2)](n), the Co(II) ion is coordinated by three N-bonded pyrimidine ligands, two N-bonded seleno-cyanate anions and one O-bonded methanol mol-ecule in an octa-hedral coordination mode. The asymmetric unit consists of one Co(II) ion, one pyrimidine ligand, two seleno-cyanate anions and one methanol mol-ecule in general positions as well as one pyrimidine ligand located around a twofold rotation axis. In the crystal structure, the pyrimidine ligands bridge [Co(CNSe)(2)(CH(3)OH)] units into zigzag-like chains, which are further connected by pyrimidine ligands into layers parallel to (010).

| S-EPMC3007058 | 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

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