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]

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Summary

Phongphayakb and Yupa Wattanakanjanab*

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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