Keywords: Zinc / Cadmium / N,S ligands / Structure elucidation / Enzyme models / Coordination modes Two different modes of binding methanol and ethanol were found in crystals of heteroleptic zinc and cadmium complexes with MS 2 NO 2 and MS 2 NO kernels and with a general formula M(RS) 2 (im) (M = Zn, Cd; RS = tri-tert-butoxysilanethiolate; im = imidazole, 2-methylimidazole, 2-ethylimidazole). Alcohol molecules are either trapped in the crystal lattice by NH···O and OH···S hydrogen bonds or directly coordinated to the metal centre. The complexes were studied by X-ray diffraction, solid state FTIR and
Two new methylsilylsulfides are synthesized. Propeller-like chirality is described for triaryloxysilanethiol and its methyl derivative. S-methylation of the silanethiol lowers the overall symmetry of the unit cell.
The CuII ion in the title compound, [CuBr(C6H10N2)4]Br, is coordinated in a square-based-pyramidal geometry by the N atoms of four imidazole ligands and a bromide anion in the apical site. Both the CuII and Br− atoms lie on a crystallographic fourfold axis. In the crystal, the [CuBr(C6H10N2)4]+ complex cations are linked to the uncoordinated Br− anions (site symmetry ) by N—H⋯Br hydrogen bonds, generating a three-dimensional network. The ethyl group of the imidazole ligand was modelled as disordered over two orientations with occupancies of 0.620 (8) and 0.380 (8).
The CuII ion in the title molecular salt, [CuBr(C5H8N2)4]Br, is coordinated in a square-pyramidal geometry by four N atoms of imidazole ligands and one bromide anion in the apical position. In the crystal, the ions are linked by N—H⋯Br hydrogen bonds involving both the coordinating and the free bromide species as acceptors. A C—H⋯Br interaction is also observed. Overall, a three-dimensional network results.
Key indicators: single-crystal X-ray study; T = 120 K; mean (C-C) = 0.005 Å; R factor = 0.033; wR factor = 0.092; data-to-parameter ratio = 17.6.The Cu II atom in the title salt, [CuBr(C 6 H 10 N 2 ) 4 ]Br, is coordinated in a square-pyramidal geometry by four imidazole N atoms and one bromide anion that is located at the apex of the pyramid. The cations and the anions form a twodimensional network parallel to (001) through N-HÁ Á ÁBr hydrogen bonds.
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