Diammine{N-[2-(hydroxyimino)propionyl]-N′-[2-(oxidoimino)propionyl]propane-1,3-diaminido-κ4N,N′,N′′,N′′′}iron(III)

Stefania Tomyn,Ruslan Nedelkov,Matti Haukka

doi:10.1107/s160053681204826x

Abstract

In the title compound, [Fe(C9H13N4O4)(NH3)2], the FeIII atom, lying on a mirror plane, is coordinated by four N atoms of a triply deprotonated tetradentate N-[2-(hydroxyimino)propionyl]-N′-[2-(oxidoimino)propionyl]propane-1,3-diaminide ligand in the equatorial plane and two N atoms of two ammonia molecules at the axial positions in a distorted octahedral geometry. A short intramolecular O—H⋯O hydrogen bond between the cis-disposed oxime O atoms stabilizes the pseudo-macrocyclic configuration of the ligand. In the crystal, molecules are linked by N—H⋯O hydrogen bonds into a three-dimensional network. The ligand has a mirror-plane symmetry. One of the methylene groups of the propane bridge is disordered over two sets of sites with equal occupancy factors.

Highlights

In the title compound, [Fe(C9H13N4O4)(NH3)2], the FeIII atom, lying on a mirror plane, is coordinated by four N atoms of a triply deprotonated tetradentate N-[2-(hydroxyimino)propionyl]-N0 -[2-(oxidoimino)propionyl]propane-1,3-diaminide ligand in the equatorial plane and two N atoms of two ammonia molecules at the axial positions in a distorted octahedral geometry
Molecules are linked by N—H O hydrogen bonds into a three-dimensional network
One of the methylene groups of the propane bridge is disordered over two sets of sites with equal occupancy factors

Summary

Crystal data

Key indicators: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.004 Å; disorder in main residue; R factor = 0.030; wR factor = 0.074; data-to-parameter ratio = 12.9. In the title compound, [Fe(C9H13N4O4)(NH3)2], the FeIII atom, lying on a mirror plane, is coordinated by four N atoms of a triply deprotonated tetradentate N-[2-(hydroxyimino)propionyl]-N0 -[2-(oxidoimino)propionyl]propane-1,3-diaminide ligand in the equatorial plane and two N atoms of two ammonia molecules at the axial positions in a distorted octahedral geometry. A short intramolecular O—H O hydrogen bond between the cis-disposed oxime O atoms stabilizes the pseudo-macrocyclic configuration of the ligand. Molecules are linked by N—H O hydrogen bonds into a three-dimensional network. One of the methylene groups of the propane bridge is disordered over two sets of sites with equal occupancy factors

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