Crystal structure of tris­{N,N-diethyl-N′-[(4-nitro­phen­yl)(oxo)meth­yl]carbamimido­thio­ato}cobalt(III)

The synthesis, crystal structure and a Hirshfeld surface analysis of tris­{N,N-diethyl-N′-[(4-nitro­phen­yl)(oxo)meth­yl]carbamimido­thio­ato}cobalt(III) are described.

The synthesis, crystal structure, and a Hirshfeld surface analysis of tris­{N,N-diethyl-N′-[(4-nitro­phen­yl)(oxo)meth­yl]carbamimido­thio­ato}cobalt(III) conducted at 180 K are presented. The complex consists of three N,N-diethyl-N′-[(4-nitro­benzene)(oxo)meth­yl]carbamimido­thio­ato ligands, threefold sym­metric­ally bonded about the Co^III ion, in approximately octa­hedral coordination, which generates a triple of individually near planar metallacyclic (Co—S—C—N—C—O) rings. The overall geometry of the complex is determined by the mutual orientation of each metallacycle about the crystallographically imposed threefold axis [dihedral angles = 81.70 (2)°] and by the dihedral angles between the various planar groups within each asymmetric unit [metallacycle to benzene ring = 13.83 (7)°; benzene ring to nitro group = 17.494 (8)°]. The complexes stack in anti-parallel columns about the

axis of the space group (P

), generating solvent-accessible channels along [001]. These channels contain ill-defined, multiply disordered, partial-occupancy solvent. Atom–atom contacts in the crystal packing predominantly (∼96%) involve hydrogen, the most abundant types being H⋯H (36.6%), H⋯O (31.0%), H⋯C (19.2%), H⋯N (4.8%), and H⋯S (4.4%).