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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

AuthorsStolárová, Monika; Černák, Juraj; Tomás, Milagros ; Falvello, Larry R.
Issue Date2013
PublisherJohn Wiley & Sons
International Union of Crystallography
CitationActa Crystallographica - Section C - Crystal Structure Commun 69(6): 565-568 (2013)
AbstractThe 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(NO 3)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)-rimidine)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 squareplanar 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. © 2013 International Union of Crystallography.
Publisher version (URL)http://dx.doi.org/10.1107/S0108270113010585
Identifiersdoi: 10.1107/S0108270113010585
issn: 0108-2701
e-issn: 1600-5759
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(ISQCH) Artículos
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