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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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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]. |
format | Online Article Text |
id | pubmed-5458310 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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