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(1-Methyl-1H-imidazole-?N (3))(1-methyl-2-nitroso-benzene-?N)(5,10,15,20-tetra-phenyl-porphyrinato-?(4) N)iron(II) di-chloro-methane monosolvate.

ABSTRACT: The solvated title compound, [Fe(C44H28N4)(C4H6N2)(C7H7NO)]·CH2Cl2, is a porphyrin complex containing an octahedrally coordinated Fe(II) atom with 1-methylimidazole [Fe-N = 2.0651?(17)?Å] and o-nitro-sotoluene ligands at the axial positions. The o-nitro-sotoluene ligand is N-bound to iron(II) [Fe-N = 1.8406?(18)Å and Fe-N-O = 122.54?(14)°]. The axial N-Fe-N linkage is almost linear, with a bond angle of 177.15?(7)°. One phenyl group of the porphyrin ligand is disordered over two orientations in a 0.710?(3):0.290?(3) ratio. The di-chloro-methane solvent mol-ecule was severely disordered and its contribution to the scattering was removed with the SQUEEZE routine [van der Sluis & Spek (1990 ?). Acta Cryst. A46, 194-201].

SUBMITTER: Abucayon EG

PROVIDER: S-EPMC3998258 | biostudies-other | 2014 Feb

REPOSITORIES: biostudies-other

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(1-Methyl-1H-imidazole-κN (3))(1-methyl-2-nitroso-benzene-κN)(5,10,15,20-tetra-phenyl-porphyrinato-κ(4) N)iron(II) di-chloro-methane monosolvate.

Abucayon Erwin G EG Awasabisah Dennis D Powell Douglas R DR Richter-Addo George B GB

Acta crystallographica. Section E, Structure reports online 20140118 Pt 2

The solvated title compound, [Fe(C44H28N4)(C4H6N2)(C7H7NO)]·CH2Cl2, is a porphyrin complex containing an octahedrally coordinated Fe(II) atom with 1-methylimidazole [Fe-N = 2.0651 (17) Å] and o-nitro-sotoluene ligands at the axial positions. The o-nitro-sotoluene ligand is N-bound to iron(II) [Fe-N = 1.8406 (18)Å and Fe-N-O = 122.54 (14)°]. The axial N-Fe-N linkage is almost linear, with a bond angle of 177.15 (7)°. One phenyl group of the porphyrin ligand is disordered over two orientations in ...[more]

PMID: 24764819

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