Title of article :
A new example of intramolecular C—H⋯Ni anagostic interactions: synthesis, crystal structure and Hirshfeld analysis of cis-bis[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamidato-κ2N1,S]nickel(II) dimethylformamide monosolvate
Author/Authors :
Oliveira, Adriano Bof de Departamento de Química - Universidade Federal de Sergipe, Brazil , Beck, Johannes Institut für Anorganische Chemie - Rheinische Friedrich-Wilhelms-Universität Bonn, Germany , Brown S. Mellone, Sônia Elizabeth Departamento de Química - Universidade Federal de Sergipe, Brazil , Daniels, Jörg Institut für Anorganische Chemie - Rheinische Friedrich-Wilhelms-Universität Bonn, Germany
Abstract :
The reaction of NiII acetate tetrahydrate with 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide in a 2:1 molar ratio and recrystallization from dimethylformamide yielded the title compound, [Ni(C12H14N3S)2]·C3H7NO. The ligands act as monoanionic κ2N1,S-donors, forming five-membered metallarings. The NiII ion is fourfold coordinated in a distorted square-planar cis-configuration, which is rather uncommon for monothiosemicarbazone complexes. Intramolecular H⋯Ni trans-interactions are observed [H⋯Ni distances are 2.50 and 2.57 Å] and thus anagostic interactions can be suggested. The Hirshfeld surface analysis indicates that the major contributions for the crystal packing are H⋯H (66.6%), H⋯S (12.3%) and H⋯C (10.9%) interactions. In the crystal, the complex molecules are linked by dimethylformamide solvent molecules through N—H⋯O interactions into one-dimensional hydrogen-bonded polymers along [010].
Keywords :
crystal structure , Ni—H anagostic interaction , nickel-thiosemicarbazone cis complex
Journal title :
Acta Crystallographica Section E: Crystallographic Communications