Abstract
The MoVI atom in the title structure, [Mo(C10H13N)Cl2O(C10H8N2)]·0.5CH2Cl2, has a distorted octahedral coordination sphere with cis-orientated oxide and imide ligands, trans-chloride ligands and the 2,2′-bipyridine (bipy) ligand N atoms lying trans to the oxide and imide ligands. An imide-ligand tert-butyl-methyl-group H atom makes a close approach with the oxide ligand (distance = 2.53 Å) and the imide-ligand N atom (distance = 2.41 Å). Another imide-ligand tert-butyl-methyl-group H atom makes a close approach to a chloride ligand (distance = 2.82 Å). One bipy-ligand α-H atom makes a close approach to the oxide ligand (distance = 2.4 Å) and the other α-H atom makes a close approach to the imide-ligand phenyl-ring ortho-H atom (distance = 2.52 Å). These close approaches suggest the presence of weak intramolecular hydrogen bonds. The solvent molecule has been modelled under consideration of half-occupancy.
Highlights
The MoVI atom in the title structure, [Mo(C10H13N)Cl2O(C10H8N2)]0.5CH2Cl2, has a distorted octahedral coordination sphere with cis-orientated oxide and imide ligands, trans-chloride ligands and the 2,20 -bipyridine ligand N atoms lying trans to the oxide and imide ligands
An imideligand tert-butyl-methyl-group H atom makes a close approach with the oxide ligand and the imide-ligand N atom
Another imideligand tert-butyl-methyl-group H atom makes a close approach to a chloride ligand
Summary
Key indicators: single-crystal X-ray study; T = 150 K; mean (C–C) = 0.005 Å; disorder in solvent or counterion; R factor = 0.043; wR factor = 0.102; data-toparameter ratio = 15.9. One bipyligand -H atom makes a close approach to the oxide ligand (distance = 2.4 Å) and the other -H atom makes a close approach to the imide-ligand phenyl-ring ortho-H atom (distance = 2.52 Å). These close approaches suggest the presence of weak intramolecular hydrogen bonds. The solvent molecule has been modelled under consideration of halfoccupancy
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