6533b82efe1ef96bd1292949

RESEARCH PRODUCT

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

Stefania TomynRuslan V. NedelkovMatti Haukka

subject

Metal-Organic PapersLigandHydrogen bondChemistryGeneral ChemistryCondensed Matter PhysicsBioinformaticsOximeMedicinal chemistryCrystalAmmoniachemistry.chemical_compoundDeprotonationPropaneAtomGeneral Materials Scienceta116

description

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.

https://doi.org/10.1107/s160053681204826x