Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 6 (June 2013)

metal-organic compounds

ku3094 scheme

Acta Cryst. (2013). C69, 565-568    [ doi:10.1107/S0108270113010585 ]

Crystal structure and thermal properties of a square-planar NiII complex of cyanide and a tricyclic bis-amidine ligand formed in situ under solvothermal conditions

M. Stolárová, J. Cernák, M. Tomás and L. R. Falvello

Abstract: The reaction of N1,N1'-(ethane-1,2-diyl)bis(propane-1,3-diamine) (bapen), K2[Ni(CN)4]·H2O and dimethylformamide in the presence of Gd(NO3)3·6H2O under solvothermal conditions yielded yellow crystals of dicyanido(2,3,4,6,7,9,10,11-octahydropyrimido[2',1':3,4]pyrazino[1,2-a]pyrimidine)nickel(II) hemihydrate, [Ni(CN)2(C10H16N4)]·0.5H2O, (I), the crystal structure of which is composed of [Ni(CN)2(pdpm)] molecules (pdpm is 2,3,4,6,7,9,10,11-octahydropyrimido[2',1':3,4]pyrazino[1,2-a]pyrimidine) on general positions linked by O-H...N hydrogen bonds to water molecules located on twofold axes. This structural unit is further linked by nonclassical C-H...N interactions to form a warped two-dimensional net perpendicular to the unit-cell b axis. The nets are stacked, with C-H...O contacts joining successive units. The NiII cation is coordinated with square-planar geometry by a chelating pdpm ligand and two cyanide ligands in mutually cis positions. Complex (I) is stable up to 360 K, at which point dehydration takes place; the ligands start to decompose at 558 K.

Formula: [Ni(CN)2(C10H16N4)]·0.5H2O

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[ doi:10.1107/S0108270113010585/ku3094Isup3.cdx ]
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