Date Published: August 01, 2009
Publisher: International Union of Crystallography
Author(s): Muhammad Mufakkar, M. Nawaz Tahir, Saeed Ahmad, Muhammad Ashraf Shaheen, Abdul Waheed.
In the title compound, [CuBr(C13H12N2S)2]·H2O, the CuI atom adopts a slightly distorted trigonal-planar coordination arising from two S atoms of two diphenylthiourea ligands and a bromide ion. There are two intramolecular N—H⋯Br hydrogen bonds completing twisted six-membered rings with R(6) motifs. The dihedral angles between the aromatic rings in the ligands are 62.11 (13) and 85.73 (13)°. In the crystal, components are linked by N—H⋯O, O—H⋯S and O—H⋯π interactions. There also exist π–π interactions with a distance of 3.876 (2) Å between the centroids of benzene rings of two different ligands. Together, the intermolecular interactions lead to a three-dimensional network.
For related structures, see: Khan et al. (2007 ▶); Mufakkar et al. (2007 ▶); Zoufalá et al. (2007 ▶). For graph-set notation, see: Bernstein et al. (1995 ▶).