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Crystal structure of bis-(3-bromo-pyridine-?N)bis-(O-ethyl di-thio-carbonato-?(2) S,S')nickel(II).

ABSTRACT: In the title mol-ecular complex, [Ni(C3H5OS2)2(C5H4BrN)2], the Ni(2+) cation is located on a centre of inversion and has a distorted octa-hedral N2S4 environment defined by two chelating xanthate ligands and two monodentate pyridine ligands. The C-S bond lengths of the thio-carboxyl-ate group are indicative of a delocalized bond and the O-Csp (2) bond is considerably shorter than the O-Csp (3) bond, consistent with a significant contribution of one resonance form of the xanthate anion that features a formal C=O+ unit and a negative charge on each of the S atoms. The packing of the mol-ecules is stabilized by C-H?S and C-H?? inter-actions. In addition, ?-? inter-actions between the pyridine rings [centroid-to-centroid distance = 3.797?(3)?Å] are also present. In the crystal structure, mol-ecules are arranged in rows along [100], forming layers parallel to (010) and (001).

SUBMITTER: Kant R

PROVIDER: S-EPMC4331872 | biostudies-other | 2015 Jan

REPOSITORIES: biostudies-other

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Crystal structure of bis-(3-bromo-pyridine-κN)bis-(O-ethyl di-thio-carbonato-κ(2) S,S')nickel(II).

Kant Rajni R Kour Gurvinder G Anthal Sumati S Neerupama Sachar Renu R

Acta crystallographica. Section E, Crystallographic communications 20150101 Pt 1

In the title mol-ecular complex, [Ni(C3H5OS2)2(C5H4BrN)2], the Ni(2+) cation is located on a centre of inversion and has a distorted octa-hedral N2S4 environment defined by two chelating xanthate ligands and two monodentate pyridine ligands. The C-S bond lengths of the thio-carboxyl-ate group are indicative of a delocalized bond and the O-Csp (2) bond is considerably shorter than the O-Csp (3) bond, consistent with a significant contribution of one resonance form of the xanthate anion that featu ...[more]

PMID: 25705471

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