Research Article: Redetermination of catena-poly[[chlorido­(thio­urea-κS)copper(I)]-μ-thio­urea-κ2S:S] at 100 K

Date Published: March 01, 2012

Publisher: International Union of Crystallography

Author(s): Hafid Zouihri.


The structure of the polymeric title compound, [CuCl(CH4N2S)2]n, has been redetermined to modern standards of precision with anisotropic refinement and location of the H atoms. The previous structure report [Spofford & Amma (1970 ▶). Acta Cryst. B26, 1474–1483] is generally confirmed to higher precision [typical Cu—S bond length s.u. values = 0.005 (old) and 0.001 Å (new)]. The asymmetric unit contains two formula units, with both CuI atoms coordinated by one terminal S atom and two bridging S atoms of thio­urea ligands. This connectivity leads to polymeric [100] chains in the crystal. If very long contacts to nearby chloride ions [2.8687 (9) and 3.1394 (12) Å] are considered to be bonding, then very distorted CuS3Cl tetra­hedral coordination polyhedra arise. The crystal structure is consolidated by weak intra- and inter-chain N—H⋯S and N—H⋯Cl hydrogen bonds.

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For the structure of a related thio­urea salt, see: Zouihri (2012 ▶). For the previous structure determination of the title compound, see: Spofford & Amma (1970 ▶).