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Geometrical variations of two manganese(II) complexes with closely related quinoline-based tripodal ligands.


ABSTRACT: Structural analyses of the compounds di-μ-acetato-κ4 O:O'-bis-{[2-meth-oxy-N,N-bis-(quinolin-2-ylmeth-yl)ethanamine-κ4 N,N',N'',O]manganese(II)} bis-(tetra-phen-yl-borate) di-chloro-methane 1.45-solvate, [Mn2(C23O2)2(C23H23N3O)2](C24H20B)·1.45CH2Cl2 or [Mn(DQMEA)(μ-OAc)2Mn(DQMEA)](BPh4)2·1.45CH2Cl2 or [1](BPh4)2·1.45CH2Cl2, and (acetato-κO)[2-hy-droxy-N,N-bis(quinolin-2-ylmeth-yl)ethanamine-κ4 N,N',N'',O](methanol-κO)manganese(II) tetra-phenyl-borate methanol monosolvate, [Mn(CH3COO)(C22H21N3O)(CH3OH)](C24H20B)·CH3OH or [Mn(DQEA)(OAc)(CH3OH)]BPh4·CH3OH or [2]BPh4·CH3OH, by single-crystal X-ray diffraction reveal distinct differences in the geometry of coordination of the tripodal DQEA and DQMEA ligands to MnII ions. In the asymmetric unit, compound [1](BPh4)2·(CH2Cl2)1.45 crystallizes as a dimer in which each manganese(II) center is coordinated by the central amine nitro-gen, the nitro-gen atom of each quinoline group, and the meth-oxy-oxygen of the tetra-dentate DQMEA ligand, and two bridging-acetate oxygen atoms. The symmetric MnII centers have a distorted, octa-hedral geometry in which the quinoline nitro-gen atoms are trans to each other resulting in co-planarity of the quinoline rings. For each MnII center, a coordinated acetate oxygen participates in C-H⋯O hydrogen-bonding inter-actions with the two quinolyl moieties, further stabilizing the trans structure. Within the crystal, weak π-π stacking inter-actions and inter-molecular cation-anion inter-actions stabilize the crystal packing. In the asymmetric unit, compound [2]BPh4·CH3OH crystallizes as a monomer in which the manganese(II) ion is coordinated to the central nitro-gen, the nitro-gen atom of each quinoline group, and the alcohol oxygen of the tetra-dentate DQEA ligand, an oxygen atom of OAc, and the oxygen atom of a methanol ligand. The geometry of the MnII center in [2]BPh4·CH3OH is also a distorted octa-hedron, but the quinoline nitro-gen atoms are cis to each other in this structure. Hydrogen bonding between the acetate oxygen atoms and hydroxyl (O-H⋯O) and quinolyl (C-H⋯O and N-H⋯O) moieties of the DQEA ligand stabilize the complex in this cis configuration. Within the crystal, dimerization of complexes occurs by the formation of a pair of inter-molecular O3-H3⋯O2 hydrogen bonds between the coordinated hydroxyl oxygen of the DQEA ligand of one complex and an acetate oxygen of another. Additional hydrogen-bonding and inter-molecular cation-anion inter-actions contribute to the crystal packing.

SUBMITTER: Frey ST 

PROVIDER: S-EPMC8491528 | biostudies-literature | 2021 Oct

REPOSITORIES: biostudies-literature

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Geometrical variations of two manganese(II) complexes with closely related quinoline-based tripodal ligands.

Frey Steven T ST   Ballot Jasper G JG   Hands Allison A   Cirka Haley A HA   Rinaolo Katheryn C KC   Phalkun Nich N NN   Kaur Manpreet M   Jasinski Jerry P JP  

Acta crystallographica. Section E, Crystallographic communications 20210928 Pt 10


Structural analyses of the compounds di-μ-acetato-κ<sup>4</sup> <i>O</i>:<i>O</i>'-bis-{[2-meth-oxy-<i>N</i>,<i>N</i>-bis-(quinolin-2-ylmeth-yl)ethanamine-κ<sup>4</sup> <i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>]manganese(II)} bis-(tetra-phen-yl-borate) di-chloro-methane 1.45-solvate, [Mn<sub>2</sub>(C<sub>23</sub>O<sub>2</sub>)<sub>2</sub>(C<sub>23</sub>H<sub>23</sub>N<sub>3</sub>O)<sub>2</sub>](C<sub>24</sub>H<sub>20</sub>B)·1.45CH<sub>2</sub>Cl<sub>2</sub> or [Mn(DQMEA)(μ-OAc)<sub>2</sub>Mn(DQMEA  ...[more]

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