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1-(3,4-Dichloro-benz-yl)pyridinium bis-(2-sulfanyl-idene-1,3-dithiole-4,5-dithiol-ato-κS,S')nickelate(III).

ABSTRACT: The title compound, (C(12)H(10)Cl(2)N)[Ni(C(3)S(5))(2)], is an ion-pair complex consisting of 1-(3,4-dichloro-benz-yl)pyridinium cations and [Ni(dmit)(2)] anions (dmit = 2-sulfanyl-idene-1,3-dithiole-4,5-dithiol-ate). In the anion, the Ni(III) ion exhibits a square-planar coordination involving four S atoms from two dmit ligands. In the crystal, weak S⋯S [3.368 (2) and 3.482 (3) Å], Ni⋯S [3.680 (2) Å] and Cl⋯S [3.491 (2) Å] inter-actions and C-H⋯S hydrogen bonds lead to a three-dimensional supra-molecular network.

SUBMITTER: Liu GX

PROVIDER: S-EPMC3246987 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1-(2,4-Dichloro-benz-yl)pyridinium bis-(2-sulfanyl-idene-1,3-dithiole-4,5-dithiol-ato-?S,S')nickelate(III).

Project description:In the title compound, (C(12)H(10)Cl(2)N)[Ni(C(3)S(5))(2)], the Ni(III) atom is chelated by two bidentate 2-sulfanyl-idene-1,3-dithiole-4,5-dithiol-ate (dmit) dianions and shows a distorted square-planar geometry. The two dmit ligands are twisted with respect to each other by 3.21?(2)°. In the cation, the two aromatic groups linked by the methyl-ene bridging group form a dihedral angle of 68.09?(2)°. S?S [3.6212?(11) and 3.5573?(9)?Å] and Ni?S [3.566?(2)Å] inter-actions influence the arrangement of the anions in the crystal.

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4-Cyano-1-(4-nitro-benz-yl)pyridinium bis-(2-thioxo-1,3-dithiole-4,5-dithiol-ato-κS,S)nickelate(III).

Project description:In the title salt, (C(13)H(10)N(3)O(2))[Ni(C(3)S(5))(2)], the Ni(III) cation is S,S'-chelated by two 2-thioxo-1,3-dithiole-4,5-dithiol-ate anions in a distorted square-planar geometry. The complex anion is approximately planar with a maximum deviation of 0.097 (1) Å. In the 1-(4-nitro-benz-yl)-4-cyano-pyridinium cation, the pyridine ring is twisted at a dihedral angle of 73.84 (16)° with respect to the benzene ring. π-π stacking is observed between nearly parallel [dihedral angle = 4.71 (7)°] dithiole and benzene rings, the centroid-centroid distance being 3.791 (2) Å.

| S-EPMC2983398 | biostudies-literature

1-(4-Bromo-2-fluoro-benz-yl)pyridinium bis-(2-thioxo-1,3-dithiole-4,5-dithiol-ato)nickelate(III).

Project description:The title compound, (C(12)H(10)BrFN)[Ni(C(3)S(5))(2)], is an ion-pair complex consisting of N-(2-fluoro-4-bromo-benz-yl)pyridinium cations and [Ni(dmit)(2)](-) anions (dmit = 2-thioxo-1,3-dithiole-4,5-dithiol-ate). In the anion, the Ni(III) ion exhibits a square-planar coordination involving four S atoms from two dmit ligands. In the crystal structure, weak S?S [3.474?(3), 3.478?(3) and 3.547?(3)?Å] and S?? [S?centroid distances = 3.360?(3), 3.378?(2), 3.537?(2) and 3.681?(3)?Å] inter-actions and C-H?F hydrogen bonds lead to a three-dimensional supra-molecular network.

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1-(2-Fluoro-benz-yl)quinolinium bis-(2-sulfanylidene-1,3-dithiole-4,5-dithiol-ato-?S,S')nickelate(III).

Project description:The crystal structure of the title compound, (C(16)H(13)FN)[Ni(C(3)S(5))(2)], consists of Ni(III) complex anions and 1-(2-fluoro-benz-yl)quinolinium (fbq) cations. In the complex anion, the Ni(III) cation is chelated by two 2-sulfanylidene-1,3-dithiole-4,5-dithiol-ate (dmit) dianions in a distorted square-planar geometry; the two dmit mean planes are twisted with respect to each other at a dihedral angle of 8.44?(3)°. In the fbq cation, the dihedral angle between the benzene ring and the quinoline ring system is 80.57?(14)°. The centroid-centroid distance of 3.860?(5)?Å between benzene rings indicates ?-? stacking between adjacent fbq cations. The distance of 3.4958?(18)?Å between the S atom and the centroid of the pyridine ring suggests the existence of a lone-pair-aromatic inter-action between the anion and the cation. A short S?S contact [3.387?(2)?Å] is also observed in the crystal structure.

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Project description:The asymmetric unit of the title compound, (C(13)H(13)IN)[Ni(C(6)H(4)S(2))(2)], contains half each of two centrosymmetric anions and a single cation in a general position. In the anions, the Ni(III) ions are surrounded by four S atoms in a distorted square-planar geometry. In the crystal, the anions exhibit two different packing modes by stacking along the a axis in face-to-face and side-by-side fashions. Inter-ionic C-H?S hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distance = 3.6947?(5)?Å] are observed.

| S-EPMC3247529 | biostudies-literature

1-(4-Cyano-benz-yl)-3,5-dimethyl-pyridinium bis-(benzene-1,2-dithiol-ato)nickelate(III).

Project description:The asymmetric unit of the title compound, (C(15)H(15)N(2))[Ni(C(6)H(4)S(2))(2)], contains half each of two independent centrosymmetric anions and a single cation in a general position. The Ni(III) ions are coordinated by four S atoms in a square-planar geometry. The anions exhibit two packing modes, viz. stacked along the a axis in a face-to-face fashion with an alternate arrangement of anions and cations, and stacked in a side-by-side fashion, forming ribbons parallel to (011).

| S-EPMC3051972 | biostudies-literature

Bis[1-(4-chloro-benz-yl)pyridinium] bis-(1,2,5-thia-diazole-3,4-dithiol-ato)nickelate(II).

Project description:The asymmetric unit of the salt, (C(12)H(11)ClN)(2)[Ni(C(2)N(2)S(3))(2)], comprises one cation and a half of Ni(tdas)(2) (tdas = 1,2,5-thia-diazole-3,4-dithiol-ate) anion. The Ni(II) atom is located at a centre of inversion. The Ni(II) atom has a square-planar coordination with Ni-S distances of 2.2052?(4) and 2.1970?(5)?Å. In crystal, weak C-H?S and C-H?Ni contacts are observed between the anions and cations.

| S-EPMC3212200 | biostudies-literature

Bis[1-(3-cyano-benz-yl)pyridinium] bis-(1,2-dicyano-ethene-1,2-dithiol-ato)nickelate(II).

Project description:In the ionic title complex, (C(13)H(11)N(2))(2)[Ni(C(4)N(2)S(2))(2)], the Ni(II) ion is located on an inversion centre so the asymmetric unit contains one-half [Ni(mnt)(2)](2-) dianion (mnt(2-) is maleonitrile-dithiolate) and one 1-(3-cyano-benz-yl)pyridinium cation ([CNBzPy](+)). The Ni(II) ion in the [Ni(mnt)(2)](2-) anion is coordinated by four S atoms of two mnt(2-) ligands, and exhibits square-planar coordination geometry. In the [CNBzPy](+) cation, the benzene and pyridine rings are twisted with respect to the C/C/N plane incorporating the methyl-ene C atom that links them. The crystal structure is stabilized by Coulombic inter-actions.

| S-EPMC3050285 | biostudies-literature

Bis[1-(2,6-dichloro-benz-yl)-3-methyl-pyrazin-1-ium] bis-(maleonitrile-dithiol-ato)nickelate(II).

Project description:In the crystal structure of the title compound, (C(12)H(11)Cl(2)N(2))(2)[Ni(C(4)N(2)S(2))(2)], the Ni(II) complex dianion is located on an inversion centre. The Ni(II) atom is coordinated by four S atoms in a square-planar geometry. In the cation, the dihedral angle between the benzene and pyrazine rings is 85.2 (2)°.

| S-EPMC2959589 | biostudies-literature

Bis[(E)-1-(3,4-dichloro-benzyl-idene-amino)-4-methyl-pyridinium] bis-(maleonitrile-dithiol-ato)nickelate(II).

Project description:The asymmetric unit of the title compound, (C(13)H(11)Cl(2)N(2))(2)[Ni(C(4)N(2)S(2))(2)], contains one-half of a centrosymmetric [Ni(mnt)(2)] anion (where mnt is maleonitrile-dithiol-ate or 1,2-dicyano-1,2-ethyl-enedithiol-ate) and an (E)-1-(3,4-dichloro-benzyl-ideneamino)-4-methyl-pyridinium cation. In the anion, the coordination around the Ni atom is a distorted square. In the cation, the aromatic rings are oriented at a dihedral angle of 7.81?(3)°. In the crystal structure, inter-molecular C-H?N hydrogen bonds link the cations and anions. ?-? Contacts between the nickel dithiol-ene and pyridine rings and between the benzene and pyridine rings, [centroid-centroid distances = 3.682?(3) and 3.643?(3)?Å, respectively] may further stabilize the structure.

| S-EPMC2968142 | biostudies-literature

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