Abstract
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.
Highlights
In the title compound, [CuBr(C13H12N2S)2]H2O, the Cu atom adopts a slightly distorted trigonal-planar coordination arising from two S atoms of two diphenylthiourea ligands and a bromide ion
The dihedral angles between the aromatic rings in the ligands are 62.11 (13) and 85.73 (13)
The intermolecular interactions lead to a three-dimensional network
Summary
R factor = 0.039; wR factor = 0.122; data-to-parameter ratio = 20.8. In the title compound, [CuBr(C13H12N2S)2]H2O, the Cu 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. The dihedral angles between the aromatic rings in the ligands are 62.11 (13) and 85.73 (13). Components are linked by N—H O, O—H S and O—. There exist – interactions with a distance of 3.876 (2) Å between the centroids of benzene rings of two different ligands. The intermolecular interactions lead to a three-dimensional network
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