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Crystal structure of tris{N,N-diethyl-N′-[(4-nitrophenyl)(oxo)methyl]carbamimidothioato}cobalt(III)
- Source :
- Acta Crystallographica Section E: Crystallographic Communications, Vol 80, Iss 7, Pp 713-716 (2024)
- Publication Year :
- 2024
- Publisher :
- International Union of Crystallography, 2024.
-
Abstract
- 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 CoIII 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 \overline{3} axis of the space group (P\overline{3}), 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%).
Details
- Language :
- English
- ISSN :
- 20569890
- Volume :
- 80
- Issue :
- 7
- Database :
- Directory of Open Access Journals
- Journal :
- Acta Crystallographica Section E: Crystallographic Communications
- Publication Type :
- Academic Journal
- Accession number :
- edsdoj.590f44f975f54cedbbebb646d549c951
- Document Type :
- article
- Full Text :
- https://doi.org/10.1107/S2056989024005449