The crystal and molecular structure of [neocuproine-bis(3-thiocyano-2,4-pentanedionato)nickel(II)]

The spectra (IR, electronic) of the addition compound [Ni(NCS-acac) 2ncup] (ncup = 3,6-dimethyl-4,5-diazaphenanthrene; NCS-acac − = 3-thiocyano-2,4-pentanedionato anion) were obtained and its crystal and molecular structure were determined by X-ray diffraction studies. The unit cell is monoclinic (s...

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Bibliographic Details
Published in:Inorganica Chimica Acta 1996-08, Vol.249 (1), p.105-109
Main Authors: Tsiamis, Chris, Hatzidimitriou, Antonis G., Uddin, Monir
Format: Article
Language:English
Subjects:
Crystal structures
Neocuproine complexes
Nickel complexes
β-Dionato complexes
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Summary:The spectra (IR, electronic) of the addition compound [Ni(NCS-acac) 2ncup] (ncup = 3,6-dimethyl-4,5-diazaphenanthrene; NCS-acac − = 3-thiocyano-2,4-pentanedionato anion) were obtained and its crystal and molecular structure were determined by X-ray diffraction studies. The unit cell is monoclinic (space group P2 1/ c) with dimensions a = 11.693(1), b = 16.312(1), c = 14.209(1) A ̊ , β = 100.75(2)° and contains four formula units. The chelate rings are essentially planar and although the β-dionato moieties are identical, they form unequal dihedral angles with the plane of the α-diimine. The planes of the virtually linear thiocyano groups and the carbon atom they attach form with the plane of the corresponding β-dionato moieties dihedral angles of 79.9(3) and 96.8(4)°, while the dihedral angle of the thiocyano planes is 59.5(4)°.
ISSN:0020-1693
1873-3255
DOI:10.1016/0020-1693(96)05022-0