Abstract
The title compound, [Cu2(μ2-O2CC12H8NO2S)4(CH3CN)2], consists of a dinuclear and centrosymmetric complex based on two CuII atoms coordinated by four 5-nitro-2-phenyl-sulfanyl-benzoate anions and two aceto-nitrile ligands. Each benzoate anion acts as a bis-monodentate ligand while each aceto-nitrile acts as a monodentate ligand, leading to a square-pyramidal NO4 coordination environment for each CuII atom with the aceto-nitrile N atom at the apex. The intra-molecular Cu⋯Cu distance in the dimer is 2.6478 (3) Å. The cohesion of the crystal structure is ensured by (phen-yl)C-H⋯O(nitro) hydrogen bonds and (phen-yl)C-H⋯π inter-actions.
Highlights
The title compound, [Cu2(2-O2CC12H8NO2S)4(CH3CN)2], consists of a dinuclear and centrosymmetric complex based on two CuII atoms coordinated by four 5-nitro-2-phenylsulfanyl-benzoate anions and two acetonitrile ligands
Each benzoate anion acts as a bis-monodentate ligand while each acetonitrile acts as a monodentate ligand, leading to a square-pyramidal NO4 coordination environment for each CuII atom with the acetonitrile N atom at the apex
The complex likely formed between CuII generated in situ and 5-nitro-2-phenylsulfanyl-benzoate
Summary
The title compound was obtained serendipitously during efforts to make 5-nitro-2phenylsulfanyl-benzoic acid by reacting 2-bromo-5-nitro-benzoic acid with benzenethiol through a modified Ullmann reaction with Cu/Cu2O as catalyst, K2CO3 as base, and ethoxyethanol as solvent (Liu et al, 2007). The complex likely formed between CuII generated in situ and 5-nitro-2-phenylsulfanyl-benzoate. The title compound is a centrosymmetric dinuclear CuII complex with two pairs of bismonodentate 5-nitro-2-phenylsulfanyl-benzoate anions and a pair of acetonitrile molecules as ligands (Fig. 1). The aromatic rings of the two independent benzoate moieties (denoted by suffix A and B for the two anions in the asymmetric unit) are nearly perpendicular with a dihedral angle of 86.55 (5).
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
