6533b829fe1ef96bd128a5d4

RESEARCH PRODUCT

A cocrystal of two Mo(VI) complexes bearing different diastereomers of the 2,4-di-tert-butyl-6-{[(1-oxido-1-phenylpropan-2-yl)(methyl)amino]methyl}phenolate ligand derived from (+)-ephedrine

Mikko M. HänninenReijo Sillanpää

subject

EphedrineMolybdenumChemistryStereochemistryLigandHydrogen bondMolecular ConformationDiastereomerHydrogen BondingStereoisomerismGeneral MedicineCrystal structureCrystallography X-RayLigandsCocrystalGeneral Biochemistry Genetics and Molecular Biologychemistry.chemical_compoundCoordination ComplexesAlkoxideAmine gas treatingta116Derivative (chemistry)

description

The title cocrystal contains two chiral conformational diastereomers,viz.(1S,2R,RN)- and (1S,2R,SN)-, of [2,4-di-tert-butyl-6-{[(1-oxido-1-phenylpropan-2-yl)(methyl)amino]methyl}phenolato](methanol)-cis-dioxidomolybdenum(VI), [Mo(C25H35NO2)O2(CH3OH)], representing the first example of a structurally characterized molybdenum complex with enantiomerically pure ephedrine derivative ligands. The MoVIcations exhibit differently distorted octahedral coordination environments, with two oxide ligands positionedcisto each other. The remainder of the coordination comprises phenoxide, alkoxide and methanol O atoms, with an amine N atom completing the octahedron. The distinct complexes are linked by strong intermolecular O—H...O hydrogen bonds, resulting in one-dimensional molecular chains. Furthermore, the phenyl rings are involved in weak T-shaped/edge-to-face π–π interactions with each other.

10.1107/s0108270113010652https://doi.org/10.1107/S0108270113010652