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Syntheses and crystal structures of three [M(acac)2(TMEDA)] complexes (M = Mn, Fe and Zn).

ABSTRACT: The complexes bis-(acetyl-acetonato-?2 O,O')(N,N,N',N'-tetra-methyl-ethylenedi-amine-?2 N,N')manganese(II), [Mn(C5H7O2)2(C6H16N2)], bis-(acetyl-acetonato-?2 O,O')(N,N,N',N'-tetra-methyl-ethylenedi-amine-?2 N,N')iron(II), [Fe(C5H7O2)2(C6H16N2)], and bis-(acetyl-acetonato-?2 O,O')(N,N,N',N'-tetra-methyl-ethylenedi-amine-?2 N,N')zinc(II), [Zn(C5H7O2)2(C6H16N2)], were synthesized from the reaction of the corresponding metal acetyl-acetonates [M(acac)2(H2O)2] with N,N,N',N'-tetra-methyl-ethylenedi-amine (TMEDA) in toluene. Each of the complexes displays a central metal atom which is nearly octa-hedrally surrounded by two chelating acac and one chelating TMEDA ligand, resulting in an N2O4 coordination set. Despite the chemical similarity of the complex units, the packing patterns for compounds 1-3 are different and thus the crystal structures are not isotypic.

SUBMITTER: Halz JH

PROVIDER: S-EPMC6944083 | biostudies-literature | 2020 Jan

REPOSITORIES: biostudies-literature

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Syntheses and crystal structures of three [M(acac)2(TMEDA)] complexes (M = Mn, Fe and Zn).

Halz Jan Henrik JH Heiser Christian C Wagner Christoph C Merzweiler Kurt K

Acta crystallographica. Section E, Crystallographic communications 20200101 Pt 1

The complexes bis-(acetyl-acetonato-κ2 O,O')(N,N,N',N'-tetra-methyl-ethylenedi-amine-κ2 N,N')manganese(II), [Mn(C5H7O2)2(C6H16N2)], bis-(acetyl-acetonato-κ2 O,O')(N,N,N',N'-tetra-methyl-ethylenedi-amine-κ2 N,N')iron(II), [Fe(C5H7O2)<s ...[more]

PMID: 31921454

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Project description:The three isomorphous [3.3.1] metallacryptate complexes bis-(pyridinium) di-aqua-dipyridine-hexa-kis-[μ3-salicyl-hydroximato(3-)]bis-[μ2-salicyl-hydroxim-ato(1-)]hexa-aluminiumgadolinium-pyridine-water (1/7.396/1), (C5H6N)2[GdAl6(C7H6NO3)2(C7H4NO3)7(C5H5N)1.855(H2O)2]·7.396C5H5N·H2O or [Hpy]2[GdAl6(H2shi)2(shi)7(py)1.855(H2O)2]·7.396py·H2O, 1, bis-(pyridinium) di-aqua-dipyridine-hexa-kis-[μ3-salicyl-hydroximato(3-)]bis-[μ2-salicyl-hydroxim-ato(1-)]hexa-aluminiumdysprosium-pyridine-water (1/7.429/1), (C5H6N)2[DyAl6(C7H6NO3)2(C7H4NO3)7(C5H5N)1.855(H2O)2]·7.429C5H5N·H2O or [Hpy]2[DyAl6(H2shi)2(shi)7(py)1.891(H2O)2]·7.429py·H2O, 2, and bis-(pyrid-in-ium) di-aqua-dipyridine-hexa-kis-[μ3-salicyl-hydroximato(3-)]bis-[μ2-salicyl-hydrox-imato(1-)]hexa-aluminiumytterbium-pyridine-water (1/7.386/1), (C5H6N)2[YbAl6(C7H6NO3)2(C7H4NO3)7(C5H5N)1.855(H2O)2]·7.429C5H5N·H2O or [Hpy]2[YbAl6(H2shi)2(shi)7(py)1.818(H2O)2]·7.386py·H2O, 3, where Hpy+ is pyridinium, shi3- is salicyl-hydroximate, and py is pyridine, consist of an aluminium-based metallacryptand that captures an Ln III ion in the central cavity. The metallacryptand portions are comprised of an Al-N-O repeat unit; thus, they can be considered three-dimensional metallacrowns. The encapsulated Ln III ions are nine-coordinate with a spherical capped-square-anti-prism geometry, while the six AlIII ions are all octa-hedral. Four of the AlIII ions are chiral centers with 2 Δ and 2 Λ stereoconfigurations. The remaining two AlIII ions have trans chelate rings from two different shi3- ligands. For 1-3, a section of the main mol-ecule is disordered induced by the presence or absence of a pyridine ligand coordinated to one of the AlIII ions. In the absence of the pyridine moiety, an H2shi- ligand moves into the space otherwise occupied by the pyridine and the phenol oxygen atom coordinates to the AlIII ion. The movement of the H2shi- ligand induces movement for the Ln III ion, for another AlIII ion that also binds the same H2shi- ligand, and for one of the shi3- ligands coordinated to the latter AlIII ion. For 1-3 the occupancy ratio of the metallacryptand portions refined to 0.8550 (13):0.1450 (13), to 0.8909 (13):0.1091 (13), and to 0.8181 (14):0.1819 (14), respectively.

Dataset Information

Syntheses and crystal structures of three [M(acac)2(TMEDA)] complexes (M = Mn, Fe and Zn).

Publications

Syntheses and crystal structures of three [<i>M</i>(acac)<sub>2</sub>(TMEDA)] complexes (<i>M</i> = Mn, Fe and Zn).

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