Abstract
In the mononuclear title complex, [CuCl(CH5N3S)(C18H15P)2]·0.48H2O, the CuI ion is in a slightly distorted tetrahedral coordination geometry formed by two P atoms from two triphenylphosphane ligands, one S atom from a thiosemicarbazide ligand and one chloride anion. An intramolecular N—H⋯N hydrogen bond [graph-set motif S(5)] stabilizes the thiosemicarbazide ligand in its anti conformation, and an intramolecular N—H⋯Cl hydrogen bond between the hydrazine N—H group and the chloride anion influences the arrangement and orientation of the ligands around the metal center. A weak intramolecular C—H⋯Cl hydrogen bond is also present. In the crystal, complex molecules are connected through N—H⋯Cl hydrogen bonds originating from the amide –NH2 group, and through O—H⋯S and O—H⋯Cl hydrogen bonds involving the solvent water molecule. Both the direct N—H⋯Cl hydrogen bonds as well as the bridging hydrogen bonds mediated by the water molecule connect the complex molecules into zigzag chains that propagate along [010]. The solvent water molecule is partially occupied, with a refined occupancy of 0.479 (7).
Highlights
In the mononuclear title complex, [CuCl(CH5N3S)(C18H15P)2]0.48H2O, the CuI ion is in a slightly distorted tetrahedral coordination geometry formed by two P atoms from two triphenylphosphane ligands, one S atom from a thiosemicarbazide ligand and one chloride anion
Complex molecules are connected through N—H Cl hydrogen bonds originating from the amide –NH2 group, and through O—
H S and O—H Cl hydrogen bonds involving the solvent water molecule. Both the direct N—H Cl hydrogen bonds as well as the bridging hydrogen bonds mediated by the water molecule connect the complex molecules into zigzag chains that propagate along [010]
Summary
Key indicators: single-crystal X-ray study; T = 293 K; mean (C–C) = 0.004 Å; disorder in solvent or counterion; R factor = 0.047; wR factor = 0.110; data-toparameter ratio = 20.1
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