Abstract
In the title compound, [ReBr(C16H12Cl2F2N2)(CO)3], the Re atom is in a slightly distorted octahedral coordination environment with the three carbonyl ligands having a fac configuration. The diimine ligand is equatorial and is bonded to the Re centre in an N,N′-bidentate chelating fashion, with a bite angle of 77.7 (2)°. The dihedral angle between the two benzene rings is 88.7 (6)°. In the crystal structure, there are F⋯O [2.856 (9) Å], Cl⋯C [3.150 (8) Å] and O⋯C [2.984 (10) Å] contacts which are shorter than the sum of the van der Waals radii for these atoms. In addition, symmetry-related molecules are linked via intermolecular C—H⋯O, C—H⋯Br and the F⋯O interactions into one-dimensional chains extending along the a axis. The crystal structure is further stabilized by intermolecular π–π interactions [centroid–centroid distance = 3.571 (5) Å].
Highlights
Data collectionR factor = 0.050; wR factor = 0.154; data-to-parameter ratio = 34.0
In the title compound, [ReBr(C16H12Cl2F2N2)(CO)3], the Re atom is in a slightly distorted octahedral coordination environment with the three carbonyl ligands having a fac configuration
[2.984 (10) Å] contacts which are shorter than the sum of the van der Waals radii for these atoms
Summary
R factor = 0.050; wR factor = 0.154; data-to-parameter ratio = 34.0. In the title compound, [ReBr(C16H12Cl2F2N2)(CO)3], the Re atom is in a slightly distorted octahedral coordination environment with the three carbonyl ligands having a fac configuration. The diimine ligand is equatorial and is bonded to the Re centre in an N,N0 -bidentate chelating fashion, with a bite angle of 77.7 (2). The dihedral angle between the two benzene rings is 88.7 (6). F O [2.856 (9) Å], Cl C [3.150 (8) Å] and O C [2.984 (10) Å] contacts which are shorter than the sum of the van der Waals radii for these atoms. The crystal structure is further stabilized by intermolecular – interactions [centroid–centroid distance = 3.571 (5) Å].
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