Synthesis, crystal structure and Hirshfeld analysis of trans-bis(2-{1-[(6R,S)-3,5,5,6,8,8-hexamethyl-5,6,7,8-tetr ahydronaphthalen-2-yl]ethylidene}-N-methylhydrazinecarbothioamida to-²N²,S)-palladium(II) ethanol monosolvate

The reaction between the (R,S)-fixolide 4-methylthiosemicarbazone and Pd-II chloride yielded the title compound, [Pd(C20H30N3S)(2)]center dot C2H6O {common name: trans-bis[(R, S)-fixolide 4-methylthiosemicarbazonato-kappa(NS)-N-2-S-2] palladium(II) ethanol monosolvate}. The asymmetric unit of the title compound consists of one bis-thiosemicarbazonato Pd-II complex and one ethanol solvent molecule. The thiosemicarbazononato ligands act as metal chelators with a trans configuration in a distorted square-planar geometry. A C-H center dot center dot center dot S intramolecular interaction, with graph-set motif S(6), is observed and the coordination sphere resembles a hydrogen-bonded macrocyclic environment. Additionally, one C-H center dot center dot center dot Pd anagostic interaction can be suggested. Each ligand is disordered over the aliphatic ring, which adopts a half-chair conformation, and two methyl groups [s.o.f. = 0.624 (2):0.376 (2)]. The disorder includes the chiral carbon atoms and, remarkably, one ligand has the (R)-isomer with the highest s.o.f. value atoms, while the other one shows the opposite, the atoms with the highest s.o.f. value are associated with the (S)-isomer. The N-N-C(=S)-N fragments of the ligands are approximately planar, with the maximum deviations from the mean plane through the selected atoms being 0.0567 (1) and -0.0307 (8) angstrom (r.m.s.d. = 0.0403 and 0.0269 angstrom) and the dihedral angle with the respective aromatic rings amount to 46.68 (5) and 50.66 (4)degrees. In the crystal, the complexes are linked via pairs of N-H center dot center dot center dot S interactions, with graph-set motif R-2(2)(8), into centrosymmetric dimers. The dimers are further connected by centrosymmetric pairs of ethanol molecules, building mono-periodic hydrogen-bonded ribbons along [011]. The Hirshfeld surface analysis indicates that the major contributions for the crystal cohesion are [atoms with highest/lowest s.o.f.s considered separately]: H center dot center dot center dot H (81.6/82.0%), H center dot center dot center dot C/C center dot center dot center dot H (6.5/6.4%), H center dot center dot center dot N/N center dot center dot center dot H (5.2/5.0%) and H center dot center dot center dot S/S center dot center dot center dot H (5.0/4.9%).