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Synthesis, crystal structure and Hirshfeld analysis of trans-bis{(2E)-N-phenyl-2-[(2E)-3-phenyl-2-propen-1-ylidene]hydrazinecarbothioamidato-κ(2) N (1),S}palladium(II)
The reaction of (2E)-N-phenyl-2-[(2E)-3-phenyl-2-propen-1-ylidene]hydrazinecarbothioamide (common name: cinnamaldehyde-4-phenylthiosemicarbazone) deprotonated with NaOH in ethanol with an ethanolic suspension of Pd(II) chloride in a 2:1 molar ratio yielded the title compound, [Pd(C(16)H(14)...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10626968/ https://www.ncbi.nlm.nih.gov/pubmed/37936860 http://dx.doi.org/10.1107/S2056989023008654 |
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author | de Melo, Ana Paula Lopes Martins, Bianca Barreto Bresolin, Leandro Tirloni, Bárbara de Oliveira, Adriano Bof |
author_facet | de Melo, Ana Paula Lopes Martins, Bianca Barreto Bresolin, Leandro Tirloni, Bárbara de Oliveira, Adriano Bof |
author_sort | de Melo, Ana Paula Lopes |
collection | PubMed |
description | The reaction of (2E)-N-phenyl-2-[(2E)-3-phenyl-2-propen-1-ylidene]hydrazinecarbothioamide (common name: cinnamaldehyde-4-phenylthiosemicarbazone) deprotonated with NaOH in ethanol with an ethanolic suspension of Pd(II) chloride in a 2:1 molar ratio yielded the title compound, [Pd(C(16)H(14)N(3)S)(2)]. The anionic ligands act as metal chelators, κ(2) N (1) S-donors, forming five-membered rings with a trans-configuration. The Pd(II) ion is fourfold coordinated in a slightly distorted square-planar geometry. For each ligand, one H⋯S and one H⋯N intramolecular interactions are observed, with S(5) and S(6) graph-set motifs. Concerning the H⋯S interactions, the coordination sphere resembles a hydrogen-bonded macrocyclic environment-type. In the crystal, the complexes are linked via pairs of H⋯S interactions, with graph-set motif R (2) (2)(8), and building a mono-periodic hydrogen-bonded ribbon along [001]. The Hirshfeld surface analysis indicates that the major contributions for the crystal cohesion are: H⋯H (45.3%), H⋯C/C⋯H (28.0%), H⋯S/S⋯H (8.0%) and H⋯N/N⋯H (7.4%). |
format | Online Article Text |
id | pubmed-10626968 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-106269682023-11-07 Synthesis, crystal structure and Hirshfeld analysis of trans-bis{(2E)-N-phenyl-2-[(2E)-3-phenyl-2-propen-1-ylidene]hydrazinecarbothioamidato-κ(2) N (1),S}palladium(II) de Melo, Ana Paula Lopes Martins, Bianca Barreto Bresolin, Leandro Tirloni, Bárbara de Oliveira, Adriano Bof Acta Crystallogr E Crystallogr Commun Research Communications The reaction of (2E)-N-phenyl-2-[(2E)-3-phenyl-2-propen-1-ylidene]hydrazinecarbothioamide (common name: cinnamaldehyde-4-phenylthiosemicarbazone) deprotonated with NaOH in ethanol with an ethanolic suspension of Pd(II) chloride in a 2:1 molar ratio yielded the title compound, [Pd(C(16)H(14)N(3)S)(2)]. The anionic ligands act as metal chelators, κ(2) N (1) S-donors, forming five-membered rings with a trans-configuration. The Pd(II) ion is fourfold coordinated in a slightly distorted square-planar geometry. For each ligand, one H⋯S and one H⋯N intramolecular interactions are observed, with S(5) and S(6) graph-set motifs. Concerning the H⋯S interactions, the coordination sphere resembles a hydrogen-bonded macrocyclic environment-type. In the crystal, the complexes are linked via pairs of H⋯S interactions, with graph-set motif R (2) (2)(8), and building a mono-periodic hydrogen-bonded ribbon along [001]. The Hirshfeld surface analysis indicates that the major contributions for the crystal cohesion are: H⋯H (45.3%), H⋯C/C⋯H (28.0%), H⋯S/S⋯H (8.0%) and H⋯N/N⋯H (7.4%). International Union of Crystallography 2023-10-05 /pmc/articles/PMC10626968/ /pubmed/37936860 http://dx.doi.org/10.1107/S2056989023008654 Text en © Melo et al. 2023 https://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. |
spellingShingle | Research Communications de Melo, Ana Paula Lopes Martins, Bianca Barreto Bresolin, Leandro Tirloni, Bárbara de Oliveira, Adriano Bof Synthesis, crystal structure and Hirshfeld analysis of trans-bis{(2E)-N-phenyl-2-[(2E)-3-phenyl-2-propen-1-ylidene]hydrazinecarbothioamidato-κ(2) N (1),S}palladium(II) |
title | Synthesis, crystal structure and Hirshfeld analysis of trans-bis{(2E)-N-phenyl-2-[(2E)-3-phenyl-2-propen-1-ylidene]hydrazinecarbothioamidato-κ(2)
N
(1),S}palladium(II) |
title_full | Synthesis, crystal structure and Hirshfeld analysis of trans-bis{(2E)-N-phenyl-2-[(2E)-3-phenyl-2-propen-1-ylidene]hydrazinecarbothioamidato-κ(2)
N
(1),S}palladium(II) |
title_fullStr | Synthesis, crystal structure and Hirshfeld analysis of trans-bis{(2E)-N-phenyl-2-[(2E)-3-phenyl-2-propen-1-ylidene]hydrazinecarbothioamidato-κ(2)
N
(1),S}palladium(II) |
title_full_unstemmed | Synthesis, crystal structure and Hirshfeld analysis of trans-bis{(2E)-N-phenyl-2-[(2E)-3-phenyl-2-propen-1-ylidene]hydrazinecarbothioamidato-κ(2)
N
(1),S}palladium(II) |
title_short | Synthesis, crystal structure and Hirshfeld analysis of trans-bis{(2E)-N-phenyl-2-[(2E)-3-phenyl-2-propen-1-ylidene]hydrazinecarbothioamidato-κ(2)
N
(1),S}palladium(II) |
title_sort | synthesis, crystal structure and hirshfeld analysis of trans-bis{(2e)-n-phenyl-2-[(2e)-3-phenyl-2-propen-1-ylidene]hydrazinecarbothioamidato-κ(2)
n
(1),s}palladium(ii) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10626968/ https://www.ncbi.nlm.nih.gov/pubmed/37936860 http://dx.doi.org/10.1107/S2056989023008654 |
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