Source of materialAn aqueoussolutionofcopper(II)chloride dihydrate (0.21 g, 1.25 mmol) and ammonium N-methyl-N-phenyl dithiocarbamate (0.50 g, 2.5m mol) were reacted together. Brown precipitates were obtained, which were filtered, and washed thoroughly with waterand ethanol.The crude product was re-crystallized from a mixture of acetone and ethanol, and light brown crystals suitable for X-ray diffraction were obtained by slow evaporation of acetone and n-hexane solution at room temperature.
Experimental detailsCarbon-bound Hatomswere placed in calculated positions and were included in the refinement in the riding model approximation, with U iso (H) sett o1 .2U eq (C). The Ha toms of the methyl group was allowed to rotate with afixed angle around the C-C bond to best fit the experimental electron density (HFIX 137 in the SHELX program suite [8]), with U iso (H) set to 1.5 U eq (C).
DiscussionDithiocarbamates are valuable compounds due to their interesting chemistry, and wide ranges of applications [1]. The anionic ligands [ -S 2 CNR 1 R 2 ]are versatile, and have been widely studied due to their ability to formcomplexeswith most of thetransition elements.T he interesting redox chemistry of dithiocarbamatecontaining transition metalcomplexes hassignificant biological implications,and amongthe transition metal ions. Copper dithiocarbamate is one of the preferred candidates for the development of anticancer agents [2]. It has also been employed as synthetic precursors for the deposition of CuS nanoparticles [3,4].Copper (II)bis(dithiocarbamate) complexes can assumee itheram onomeric or dimeric structure. While the monomeric structures adopt thesquareplanararrangement, the dimeric complexes have fivecoordinategeometryatthe copper ion [5].The crystal structure of the title compound has been reported once before [6], where the data was obtained at room temperature and the structure reported in an on-standard space group, with the 3D coordinates of the methyl hydrogens not given. The title compound is asquare planar complex of Cu(II) with two molecules of N-methyl-Nphenyl-dithiocarbamate. The complex is centrosymmetric with half the complex in the asymmetric unit. The phenylr ings are turned out the [CuS 4 ]plane with its least square plane making a 77.02(7)°dihedral angle. The Cu1 to S1 and S2 bond lengths determined here are 2.2803(5) and 2.3252(4) Årespectively while the bond lengths determined previously [6]are slightly shorter at 2.255(2) and 2.319(2) Å. The S-Cu-S bond angle of 77.63(2)°is slightly smaller than the previous reported [6] angle of 77.87°. Them edianm etricalp arametersf or other Cu dithiocarbamate complexes whose structural data have been deposited with the Cambridge Structural Database [7] are 2.312 Åand 76.923°for the bond length and angle respectively. Theonly notable hydrogen bond is the intramolecular C2-H2A×××S2 interaction with a distance of 2.57Å.There are weak intermolecular C16-H16×××p interactions with the Cu1, S1, S2, C1 ring linking complexes in an infinite chain along the a axis. The H...