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. 2012 Dec 1;68(Pt 12):m1568-9.
doi: 10.1107/S160053681204826X. Epub 2012 Nov 30.

Diammine{N-[2-(hy-droxy-imino)-propion-yl]-N'-[2-(oxidoimino)-propion-yl]propane-1,3-diaminido-κ(4) N,N',N'',N'''}iron(III)

Stefania Tomyn  1 , Matti Haukka, Ruslan Nedelkov
Affiliations

Diammine{N-[2-(hy-droxy-imino)-propion-yl]-N'-[2-(oxidoimino)-propion-yl]propane-1,3-diaminido-κ(4) N,N',N'',N'''}iron(III)

Stefania Tomyn et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the title compound, [Fe(C9H13N4O4)(NH3)2], the Fe(III) atom, lying on a mirror plane, is coordinated by four N atoms of a triply deprotonated tetra-dentate N-[2-(hy-droxy-imino)-propion-yl]-N'-[2-(oxidoimino)-propion-yl]propane-1,3-diaminide ligand in the equatorial plane and two N atoms of two ammonia mol-ecules at the axial positions in a distorted octa-hedral geometry. A short intra-molecular O-H⋯O hydrogen bond between the cis-disposed oxime O atoms stabilizes the pseudo-macrocyclic configuration of the ligand. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds into a three-dimensional network. The ligand has a mirror-plane symmetry. One of the methyl-ene groups of the propane bridge is disordered over two sets of sites with equal occupancy factors.

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Figures

Fig. 1.
Fig. 1.
The molecular structure of the title compound. Displacement ellipsoids are drawn at the 50% probability level. C5 atom and all C-bound H atoms are disordered over two sets of sites across the mirror plane with equal occupancies. [Symmetry code: (i) x, 3/2-y, z.]
Fig. 2.
Fig. 2.
A packing diagram of the title compound. Hydrogen bonds are indicated by dashed lines. H atoms not involved in hydrogen bonds have been omitted for clarity.
See this image and copyright information in PMC

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