A new example of intra-molecular C-H⋯Ni anagostic inter-actions: synthesis, crystal structure and Hirshfeld analysis of cis -bis-[4-methyl-2-(1,2,3,4-tetra-hydro-naphthalen-1-yl-idene)hydrazinecarbo-thio-amidato-κ 2 N 1 , S ]nickel(II) di-methyl-formamide monosolvate

The reaction of Ni acetate tetra-hydrate with 4-methyl-2-(1,2,3,4-tetra-hydro-naphthalen-1-yl-idene)hydrazinecarbo-thio-amide in a 2:1 molar ratio and recrystallization from di-methyl-formamide yielded the title compound, [Ni(C H N S) ]·C H NO. The ligands act as monoanionic κ , -donors, forming fiv...

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Veröffentlicht in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2017-06, Vol.73 (Pt 6), p.859-863
Hauptverfasser: de Oliveira, Adriano Bof, Beck, Johannes, Mellone, Sônia Elizabeth Brown S, Daniels, Jörg
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container_end_page 863
container_issue Pt 6
container_start_page 859
container_title Acta crystallographica. Section E, Crystallographic communications
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creator de Oliveira, Adriano Bof
Beck, Johannes
Mellone, Sônia Elizabeth Brown S
Daniels, Jörg
description The reaction of Ni acetate tetra-hydrate with 4-methyl-2-(1,2,3,4-tetra-hydro-naphthalen-1-yl-idene)hydrazinecarbo-thio-amide in a 2:1 molar ratio and recrystallization from di-methyl-formamide yielded the title compound, [Ni(C H N S) ]·C H NO. The ligands act as monoanionic κ , -donors, forming five-membered metallarings. The Ni ion is fourfold coordinated in a distorted square-planar -configuration, which is rather uncommon for mono-thio-semicarbazone complexes. Intra-molecular H⋯Ni -inter-actions are observed [H⋯Ni distances are 2.50 and 2.57 Å] and thus anagostic inter-actions 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%) inter-actions. In the crystal, the complex mol-ecules are linked by di-methyl-formamide solvent mol-ecules through N-H⋯O inter-actions into one-dimensional hydrogen-bonded polymers along [010].
doi_str_mv 10.1107/S2056989017007198
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The ligands act as monoanionic κ , -donors, forming five-membered metallarings. The Ni ion is fourfold coordinated in a distorted square-planar -configuration, which is rather uncommon for mono-thio-semicarbazone complexes. Intra-molecular H⋯Ni -inter-actions are observed [H⋯Ni distances are 2.50 and 2.57 Å] and thus anagostic inter-actions 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%) inter-actions. 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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%) inter-actions. In the crystal, the complex mol-ecules are linked by di-methyl-formamide solvent mol-ecules through N-H⋯O inter-actions into one-dimensional hydrogen-bonded polymers along [010].</abstract><cop>England</cop><pub>International Union of Crystallography</pub><pmid>28638645</pmid><doi>10.1107/S2056989017007198</doi><tpages>5</tpages><orcidid>https://orcid.org/0000-0001-9354-280X</orcidid><oa>free_for_read</oa></addata></record>
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title A new example of intra-molecular C-H⋯Ni anagostic inter-actions: synthesis, crystal structure and Hirshfeld analysis of cis -bis-[4-methyl-2-(1,2,3,4-tetra-hydro-naphthalen-1-yl-idene)hydrazinecarbo-thio-amidato-κ 2 N 1 , S ]nickel(II) di-methyl-formamide monosolvate
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