(2,4-Dihydroxybenzaldehyde S-methylisothiosemicarbazonato)isothiocyanato copper(II)-dihydrate, [Cu(C9H10N3O2S)(NCS)] · 2H2O, crystallizes in the trigonal space group R[unk] (No. 148) with unit cell parameters a = 23.487(7) Å, c = 15.274(6) Å, V = 7297(4) Å3, Mr = 381.916, Z = 18, Dx = 1.564, Dm = 1.57 g cm−3, λ(CuKα) = 1.5418 Å, μ = 44.34 cm−1, F(000) = 3510, T = 293 K. The structure was solved by Patterson and Fourier methods and refined to R = 0.047 for 1321 observed reflections. The primary Cu coordination environment is a tetrahedrally distorted square determined by the O, N(1) and N(4) atoms from the tridentate ligand and the N atom of the NCS group with the corresponding bond lengths of 1.919(5), 1.939(5), 1.938(7) and 1.931(6) Å, respectively. This Cu coordination could be extended to a pseudo-square pyramid by including in the apical position a remote S atom from another NCS group of an adjacent complex molecule at a distance of 3.267(4) Å from the Cu atom. Two crystal water molecules per complex molecule are actually distributed between three crystallographically different statistically occupied sites.
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