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Synthesis, crystal structure and Hirshfeld and thermal analysis of bis[benzyl 2-(heptan-4-ylidene)hydrazine-1-carboxylate-κ(2) N (2),O]bis(thiocyanato)nickel(II)
The title centrosymmetric Ni(II) complex, [Ni(NCS)(2)(C(15)H(22)N(2)O(2))(2)], crystallizes with one half molecule in the asymmetric unit of the monoclinic unit cell. The complex adopts an octahedral coordination geometry with two mutually trans benzyl-2-(heptan-4-ylidene)hydrazine-1-carboxylate...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7199269/ https://www.ncbi.nlm.nih.gov/pubmed/32431923 http://dx.doi.org/10.1107/S2056989020004260 |
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author | Nithya, Palanivelu Govindarajan, Subbiah Simpson, Jim |
author_facet | Nithya, Palanivelu Govindarajan, Subbiah Simpson, Jim |
author_sort | Nithya, Palanivelu |
collection | PubMed |
description | The title centrosymmetric Ni(II) complex, [Ni(NCS)(2)(C(15)H(22)N(2)O(2))(2)], crystallizes with one half molecule in the asymmetric unit of the monoclinic unit cell. The complex adopts an octahedral coordination geometry with two mutually trans benzyl-2-(heptan-4-ylidene)hydrazine-1-carboxylate ligands in the equatorial plane with the axial positions occupied by N-bound thiocyanato ligands. The overall conformation of the molecule is also affected by two, inversion-related, intramolecular C—H⋯O hydrogen bonds. The crystal structure features N—H⋯S, C—H⋯S and C—H⋯N hydrogen bonds together with C—H⋯π contacts that stack the complexes along the b-axis direction. The packing was further explored by Hirshfeld surface analysis. The thermal properties of the complex were also investigated by simultaneous TGA–DTA analyses. |
format | Online Article Text |
id | pubmed-7199269 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-71992692020-05-19 Synthesis, crystal structure and Hirshfeld and thermal analysis of bis[benzyl 2-(heptan-4-ylidene)hydrazine-1-carboxylate-κ(2) N (2),O]bis(thiocyanato)nickel(II) Nithya, Palanivelu Govindarajan, Subbiah Simpson, Jim Acta Crystallogr E Crystallogr Commun Research Communications The title centrosymmetric Ni(II) complex, [Ni(NCS)(2)(C(15)H(22)N(2)O(2))(2)], crystallizes with one half molecule in the asymmetric unit of the monoclinic unit cell. The complex adopts an octahedral coordination geometry with two mutually trans benzyl-2-(heptan-4-ylidene)hydrazine-1-carboxylate ligands in the equatorial plane with the axial positions occupied by N-bound thiocyanato ligands. The overall conformation of the molecule is also affected by two, inversion-related, intramolecular C—H⋯O hydrogen bonds. The crystal structure features N—H⋯S, C—H⋯S and C—H⋯N hydrogen bonds together with C—H⋯π contacts that stack the complexes along the b-axis direction. The packing was further explored by Hirshfeld surface analysis. The thermal properties of the complex were also investigated by simultaneous TGA–DTA analyses. International Union of Crystallography 2020-04-07 /pmc/articles/PMC7199269/ /pubmed/32431923 http://dx.doi.org/10.1107/S2056989020004260 Text en © Nithya et al. 2020 http://creativecommons.org/licenses/by/4.0/ 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/4.0/ |
spellingShingle | Research Communications Nithya, Palanivelu Govindarajan, Subbiah Simpson, Jim Synthesis, crystal structure and Hirshfeld and thermal analysis of bis[benzyl 2-(heptan-4-ylidene)hydrazine-1-carboxylate-κ(2) N (2),O]bis(thiocyanato)nickel(II) |
title | Synthesis, crystal structure and Hirshfeld and thermal analysis of bis[benzyl 2-(heptan-4-ylidene)hydrazine-1-carboxylate-κ(2)
N
(2),O]bis(thiocyanato)nickel(II) |
title_full | Synthesis, crystal structure and Hirshfeld and thermal analysis of bis[benzyl 2-(heptan-4-ylidene)hydrazine-1-carboxylate-κ(2)
N
(2),O]bis(thiocyanato)nickel(II) |
title_fullStr | Synthesis, crystal structure and Hirshfeld and thermal analysis of bis[benzyl 2-(heptan-4-ylidene)hydrazine-1-carboxylate-κ(2)
N
(2),O]bis(thiocyanato)nickel(II) |
title_full_unstemmed | Synthesis, crystal structure and Hirshfeld and thermal analysis of bis[benzyl 2-(heptan-4-ylidene)hydrazine-1-carboxylate-κ(2)
N
(2),O]bis(thiocyanato)nickel(II) |
title_short | Synthesis, crystal structure and Hirshfeld and thermal analysis of bis[benzyl 2-(heptan-4-ylidene)hydrazine-1-carboxylate-κ(2)
N
(2),O]bis(thiocyanato)nickel(II) |
title_sort | synthesis, crystal structure and hirshfeld and thermal analysis of bis[benzyl 2-(heptan-4-ylidene)hydrazine-1-carboxylate-κ(2)
n
(2),o]bis(thiocyanato)nickel(ii) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7199269/ https://www.ncbi.nlm.nih.gov/pubmed/32431923 http://dx.doi.org/10.1107/S2056989020004260 |
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