ABSTRACT
The title compound, [Cu(6)I(6)(C(2)H(6)N(2)S)(6)], was obtained from the reaction of copper(I) iodide with N-methyl-thio-urea (Metu) in equimolar amounts in acetonitile. The complex consists of two six-membered trinuclear Cu(3)S(3)I(3) cores that combine through triply bridging Metu, forming a hexa-nuclear core which has -3 symmetry. The Cu(II) atom is coordinated by three S atoms of Metu and one iodide ion in a distorted tetra-hedral geometry. The crystal structure is stabilized by N-Hâ¯I hydrogen bonds and cuprophilic inter-actions [Cuâ¯Cu = 3.0264â (9)â Å].
ABSTRACT
There are two mol-ecules in the asymmetric unit of the title compound, [HgCl(2)(C(5)H(12)N(2)S)(2)]. In both mol-ecules, the N,N'-diethyl-thio-urea ligands exhibit a cis,trans geometry around their C-N amide bonds. The shapes of the mol-ecules are, to a large extent, determined by intra-molecular N-Hâ¯Cl hydrogen bonds formed by the N-H groups from the cis amide groups. In one mol-ecule, these groups are involved in three-center hydrogen bonds involving both chloride ligands, whereas in the other mol-ecule only one Cl ligand takes part in intra-molecular hydrogen bonding. The coordination around the Hg atom is distorted tetra-hedral with an S(2)Cl(2) donor set. Inter-molecular hydrogen bonds between N-H groups from the trans amide units of the thio-amide ligands and the chloride ligands connect the mol-ecules into a polymeric chain extending along the c axis. One of the ethyl groups of the N,N'-diethyl-thio-urea ligands is disordered over two positions in one of the mol-ecules, with an occupancy of 0.654â (17) for the major component.
ABSTRACT
In the title compound, C(14)H(14)N(2)O, the dihedral angle between the aromatic rings is 9.30â (6)°. In the crystal, mol-ecules are linked by C-Hâ¯π and N-Hâ¯π inter-actions.
ABSTRACT
In the title compound, [CuBr(C(13)H(12)N(2)S)(2)]·H(2)O, the Cu(I) atom adopts a slightly distorted trigonal-planar coordination arising from two S atoms of two diphenyl-thio-urea ligands and a bromide ion. There are two intra-molecular N-Hâ¯Br hydrogen bonds completing twisted six-membered rings with R(6) motifs. The dihedral angles between the aromatic rings in the ligands are 62.11â (13) and 85.73â (13)°. In the crystal, components are linked by N-Hâ¯O, O-Hâ¯S and O-Hâ¯π inter-actions. There also exist π-π inter-actions with a distance of 3.876â (2)â Å between the centroids of benzene rings of two different ligands. Together, the inter-molecular inter-actions lead to a three-dimensional network.
