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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-κ(2) N (1),S]nickel(II) di­methyl­formamide monosolvate

The reaction of Ni(II) 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(C(12)H(14)N(3)S)(2)]·C(3)H(7)NO. The ligands act as monoanionic κ(2) N...

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Autores principales: de Oliveira, Adriano Bof, Beck, Johannes, Mellone, Sônia Elizabeth Brown S., Daniels, Jörg
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5458310/
https://www.ncbi.nlm.nih.gov/pubmed/28638645
http://dx.doi.org/10.1107/S2056989017007198
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author de Oliveira, Adriano Bof
Beck, Johannes
Mellone, Sônia Elizabeth Brown S.
Daniels, Jörg
author_facet de Oliveira, Adriano Bof
Beck, Johannes
Mellone, Sônia Elizabeth Brown S.
Daniels, Jörg
author_sort de Oliveira, Adriano Bof
collection PubMed
description The reaction of Ni(II) 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(C(12)H(14)N(3)S)(2)]·C(3)H(7)NO. The ligands act as monoanionic κ(2) N (1),S-donors, forming five-membered metallarings. The Ni(II) 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].
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spelling pubmed-54583102017-06-21 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-κ(2) N (1),S]nickel(II) di­methyl­formamide monosolvate de Oliveira, Adriano Bof Beck, Johannes Mellone, Sônia Elizabeth Brown S. Daniels, Jörg Acta Crystallogr E Crystallogr Commun Research Communications The reaction of Ni(II) 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(C(12)H(14)N(3)S)(2)]·C(3)H(7)NO. The ligands act as monoanionic κ(2) N (1),S-donors, forming five-membered metallarings. The Ni(II) 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]. International Union of Crystallography 2017-05-19 /pmc/articles/PMC5458310/ /pubmed/28638645 http://dx.doi.org/10.1107/S2056989017007198 Text en © Oliveira et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
de Oliveira, Adriano Bof
Beck, Johannes
Mellone, Sônia Elizabeth Brown S.
Daniels, Jörg
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-κ(2) N (1),S]nickel(II) di­methyl­formamide monosolvate
title 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-κ(2) N (1),S]nickel(II) di­methyl­formamide monosolvate
title_full 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-κ(2) N (1),S]nickel(II) di­methyl­formamide monosolvate
title_fullStr 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-κ(2) N (1),S]nickel(II) di­methyl­formamide monosolvate
title_full_unstemmed 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-κ(2) N (1),S]nickel(II) di­methyl­formamide monosolvate
title_short 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-κ(2) N (1),S]nickel(II) di­methyl­formamide monosolvate
title_sort 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-κ(2) n (1),s]nickel(ii) di­methyl­formamide monosolvate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5458310/
https://www.ncbi.nlm.nih.gov/pubmed/28638645
http://dx.doi.org/10.1107/S2056989017007198
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