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

ABSTRACT: 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. ?-? stacking is observed between nearly parallel [dihedral angle = 4.71?(7)°] dithiole and benzene rings, the centroid-centroid distance being 3.791?(2)?Å.

SUBMITTER: Li KH

PROVIDER: S-EPMC2983398 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

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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).

Li Kai-Hui KH Lei Qing-Duo QD Mei Chong-Zhen CZ

Acta crystallographica. Section E, Structure reports online 20100930 Pt 10

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)°] di ...[more]

PMID: 21587448

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