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Aqua-[1-(pyrazin-2-yl)ethanone oximato-?²N,N'][1-(pyrazin-2-yl)ethanone oxime-?²N,N'](thio-cyanato-?N)nickel(II).

ABSTRACT: In the title complex, [Ni(C?H?N?O)(NCS)(C?H?N?O)(H?O)] or [Ni(mpko)(SCN)(mpkoH)(H?O)] [where mpkoH = 1-(pyrazin-2-yl)ethanone oxime], the Ni(II) cation is in a slightly distorted octa-hedral 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 thio-cyanate anion and one O atom from a water mol-ecule in the axial positions. There is an intra-molecular O-H?O hydrogen bond involving the oxime units of the two ligands. In the crystal, a three-dimensional supra-molecular architecture is formed by O-H?O and O-H?N hydrogen bonds.

SUBMITTER: Pang T

PROVIDER: S-EPMC3393160 | biostudies-other | 2012 Jul

REPOSITORIES: biostudies-other

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Aqua-[1-(pyrazin-2-yl)ethanone oximato-κ²N,N'][1-(pyrazin-2-yl)ethanone oxime-κ²N,N'](thio-cyanato-κN)nickel(II).

Pang Ting T Liu Jia-Cheng JC Sun Zan Z Xiao Chao-Hu CH Cao Ping P

Acta crystallographica. Section E, Structure reports online 20120613 Pt 7

In the title complex, [Ni(C₆H₆N₃O)(NCS)(C₆H₇N₃O)(H₂O)] or [Ni(mpko)(SCN)(mpkoH)(H₂O)] [where mpkoH = 1-(pyrazin-2-yl)ethanone oxime], the Ni(II) cation is in a slightly distorted octa-hedral 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 thio-cyanate anion and one O atom from a water mol-ecule in the axial positions. There is an intra-molecular O-H⋯O hydrogen bond involving the oxime uni ...[more]

PMID: 22807728

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