Crystal structure of cis-bis[4-phenyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamidato-κ2N1,S]nickel(II) monohydrate tetrahydrofuran disolvate

• Main Authors: Adriano Bof de Oliveira, Bárbara Regina Santos Feitosa, Christian Näther, Inke Jess
• Format: Article
• Language: English
• Published: International Union of Crystallography 2014-08-01
• Series: Acta Crystallographica Section E
• Subjects: thiosemicarbazone complex; anagostic interactions; crystal structure
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S1600536814016079

The reaction of NiII acetate tetrahydrate with the ligand 4-phenyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide in a 2:1 molar ratio yielded the title compound, [Ni(C16H16N3S)2]·2C4H8O·H2O. The deprotonated ligands act as N,S-donors, forming five-membered metallacycles with the metal ion exhibiting a cis coordination mode unusual for thiosemicarbazone complexes. The NiII ion is four-coordinated in a tetrahedrally distorted square-planar geometry. Trans-arranged anagostic C—H...Ni interactions are observed. In the crystal, the complex molecules are linked by water molecules through N—H...O and O—H...S hydrogen-bonding interactions into centrosymmetric dimers stacked along the c axis, forming rings of graph-set R44(12). Classical O—H...O hydrogen bonds involving the water and tetrahydrofuran solvent molecules as well as weak C—H...π interactions are also present.