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

• Main Author: Hafid Zouihri
• Format: Article
• Language: English
• Published: International Union of Crystallography 2012-03-01
• Series: Acta Crystallographica Section E
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S1600536812004448

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.