Syntheses, crystal structures and Hirshfeld surface analyses of bis-(2-mercaptobenzimidazole)-bromo- and iodo-copper(I) complexes.

The title complexes, bromidobis(2,3-dihydro-1H-1,3-benzodiazole-2-thi-one)copper(I), [CuBr(C7H6N2S)2] (1), and bis(2,3-dihydro-1H-1,3-benzodiazole-2-thione)iodidocopper(I) acetone monosolvate, [CuI(C7H6N2S)2]·CH3COCH3 (2), were prepared by the reaction of copper(I) bromide/iodide with 2-mercaptobenzimidazole. Both complexes have mononuclear structures with the copper atom coordinated by two 2-mercaptobenzimidazole mol-ecules via their S atoms and one halide atom in an approximate trigonal-planar arrangement. In their extended structures, N-H⋯S hydrogen bonds and π-π contacts are found in both complexes; as a result of the acetone solvent mol-ecule in (2), N-H⋯O contacts are also observed. Hirshfeld surface analyses were carried out to aid in the visualization of these inter-actions, which showed that H⋯H contacts contribute 34.6% for (1) and 34.1% for (2) to the overall surface, followed by contributions from H⋯S/S⋯H, H⋯C/C⋯H and C⋯C contacts, respectively. As expected, H⋯O/O⋯H contacts are observed only in (2). The IR and 1H and 13C NMR spectra of (1) and (2) are described.

Crystal structure of chlorido-[1-(4-nitro-phen-yl)thio-urea-κS]bis-(tri-phenyl-phosphane-κP)copper(I).

The mononuclear mixed-ligand title complex, [CuCl(C7H7N3O2S)(C18H15P)2], displays a distorted tetra-hedral coordination sphere around the CuI atom, with two P atoms from two tri-phenyl-phosphane mol-ecules, one terminal S atom from a 1-(4-nitro-phen-yl)thio-urea mol-ecule and a chloride ion as ligands. An intra-molecular N-H⋯Cl hydrogen bond stabilizes the mol-ecular conformation [graph-set motif R22(6)]. In the crystal, further N-H⋯Cl hydrogen bonds connect individual mol-ecules into zigzag chains parallel to [001]. The chains are linked by weak C-H⋯O hydrogen-bonding inter-actions into a three-dimensional network.

Crystal structure of tris-[µ2-bis-(di-phenyl-phosphan-yl)methane-κ(2) P:P']di-µ3-iodido-tris-ilver(I) iodide-N-phenyl-thio-urea (1/1).

The title complex, [Ag3I2(C25H22P2)3]I·C7H8N2S, comprises a trinuclear [Ag3I2(C25H22P2)3](+) unit, an I(-) anion and one N,N'-phenyl-thio-urea mol-ecule (ptu). Two µ3-bridging I(-) anions are linked by three Ag(I) ions, leading to the formation of a dicapped triangular motif with Ag⋯Ag separations in the range 3.0823 (5)-3.2999 (5) Å. Each Ag(I) atom exhibits a distorted tetra-hedral geometry, with coordination to two I atoms and two P atoms from bis-(di-phenyl-phosphan-yl)methane ligands. In the crystal, the I(-) anion is linked to the ptu mol-ecule through two N-H⋯I hydrogen bonds [graph-set motif R 2 (1)(6)]. These N-H⋯I hydrogen bonds, in addition to weak C-H⋯S and C-H⋯I hydrogen bonds, form zigzag chains along [010]. Two of the phenyl rings of two dppm ligands are disordered over two sets of sites with refined occupancies of 0.557 (16) and 0.443 (16).

Di-aqua-{µ2-N,N'-bis-[(cyclo-hexa-nyl-idene)amino]-oxamide}-bis-(tri-phenyl-phosphane)silver(I) dinitrate.

The dinuclear title compound, [Ag2(C14H22N4O2)(C18H15P)2(H2O)2](NO3)2, lies across an inversion center and consists of two [Ag(H2O)(PPh3)] units bridged by a bis-(cyclo-hexa-none)oxalydihydrazone ligand. The charge-balance is supplied by two nitrate anions. The symmetry-unique Ag(I) ion is in a distorted tetra-hedral geometry coordinated by a P atom from a tri-phenyl-phosphane ligand, an O atom from a water mol-ecule and a bis-(cyclo-hexa-none)oxalydihydrazone ligand bidentate chelating through the O atom and one of N atoms. In the crystal, O-H⋯O and N-H⋯O hydrogen bonds link the components, forming chains along the b-axis direction. These chains are connected through weak C-H⋯O hydrogen bonds, leading to the formation of a two-dimensional supra-molecular network parallel to (001).