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Fac-[N,N'-Bis(3-chloro-2-fluoro-benzyl-idene)ethyl-enediamine]bromido-tri-carbonyl-rhenium(I).

ABSTRACT: In the title compound, [ReBr(C(16)H(12)Cl(2)F(2)N(2))(CO)(3)], the Re atom is in a slightly distorted octa-hedral 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 mol-ecules are linked via inter-molecular C-H?O, C-H?Br and the F?O inter-actions into one-dimensional chains extending along the a axis. The crystal structure is further stabilized by inter-molecular ?-? inter-actions [centroid-centroid distance = 3.571?(5)?Å].

SUBMITTER: Kia R

PROVIDER: S-EPMC2968185 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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fac-[N,N'-Bis(3-chloro-2-fluoro-benzyl-idene)ethyl-enediamine]bromido-tri-carbonyl-rhenium(I).

Kia Reza R Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20090114 Pt 2

In the title compound, [ReBr(C(16)H(12)Cl(2)F(2)N(2))(CO)(3)], the Re atom is in a slightly distorted octa-hedral 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] conta ...[more]

PMID: 21581793

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