Acta Crystallographica Section E (Jul 2012)
Aqua[1-(pyrazin-2-yl)ethanone oximato-κ2N,N′][1-(pyrazin-2-yl)ethanone oxime-κ2N,N′](thiocyanato-κN)nickel(II)
Abstract
In the title complex, [Ni(C6H6N3O)(NCS)(C6H7N3O)(H2O)] or [Ni(mpko)(SCN)(mpkoH)(H2O)] [where mpkoH = 1-(pyrazin-2-yl)ethanone oxime], the NiII cation is in a slightly distorted octahedral geometry, being coordinated in the equatorial plane by four N atoms from two different mpkoH ligands, one of which is deprotonated, and by one N atom from a thiocyanate anion and one O atom from a water molecule in the axial positions. There is an intramolecular O—H...O hydrogen bond involving the oxime units of the two ligands. In the crystal, a three-dimensional supramolecular architecture is formed by O—H...O and O—H...N hydrogen bonds.