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Bis[S-benzyl 3-(furan-2-ylmethylidene)dithiocarbazato-κ(2) N (3),S]copper(II): crystal structure and Hirshfeld surface analysis
The title Cu(II) complex, [Cu(C(13)H(11)N(2)OS(2))(2)], features a trans-N(2)S(2) donor set as a result of the Cu(II) atom being located on a crystallographic centre of inversion and being coordinated by thiolate-S and imine-N atoms derived from two dithiocarbazate anions. The resulting geometry...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6658952/ https://www.ncbi.nlm.nih.gov/pubmed/31391968 http://dx.doi.org/10.1107/S2056989019006145 |
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author | Yusof, Enis Nadia Md Nasri, Nazhirah Muhammad Ravoof, Thahira B. S. A. Jotani, Mukesh M. Tiekink, Edward R. T. |
author_facet | Yusof, Enis Nadia Md Nasri, Nazhirah Muhammad Ravoof, Thahira B. S. A. Jotani, Mukesh M. Tiekink, Edward R. T. |
author_sort | Yusof, Enis Nadia Md |
collection | PubMed |
description | The title Cu(II) complex, [Cu(C(13)H(11)N(2)OS(2))(2)], features a trans-N(2)S(2) donor set as a result of the Cu(II) atom being located on a crystallographic centre of inversion and being coordinated by thiolate-S and imine-N atoms derived from two dithiocarbazate anions. The resulting geometry is distorted square-planar. In the crystal, π(chelate ring)–π(furyl) [inter-centroid separation = 3.6950 (14) Å and angle of inclination = 5.33 (13)°] and phenyl-C—H⋯π(phenyl) interactions sustain supramolecular layers lying parallel to ([Image: see text]02). The most prominent interactions between layers, as confirmed by an analysis of the calculated Hirshfeld surface, are phenyl-H⋯H(phenyl) contacts. Indications for Cu⋯Cg(furyl) contacts (Cu⋯Cg = 3.74 Å) were also found. Interaction energy calculations suggest the contacts between molecules are largely dispersive in nature. |
format | Online Article Text |
id | pubmed-6658952 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-66589522019-08-07 Bis[S-benzyl 3-(furan-2-ylmethylidene)dithiocarbazato-κ(2) N (3),S]copper(II): crystal structure and Hirshfeld surface analysis Yusof, Enis Nadia Md Nasri, Nazhirah Muhammad Ravoof, Thahira B. S. A. Jotani, Mukesh M. Tiekink, Edward R. T. Acta Crystallogr E Crystallogr Commun Research Communications The title Cu(II) complex, [Cu(C(13)H(11)N(2)OS(2))(2)], features a trans-N(2)S(2) donor set as a result of the Cu(II) atom being located on a crystallographic centre of inversion and being coordinated by thiolate-S and imine-N atoms derived from two dithiocarbazate anions. The resulting geometry is distorted square-planar. In the crystal, π(chelate ring)–π(furyl) [inter-centroid separation = 3.6950 (14) Å and angle of inclination = 5.33 (13)°] and phenyl-C—H⋯π(phenyl) interactions sustain supramolecular layers lying parallel to ([Image: see text]02). The most prominent interactions between layers, as confirmed by an analysis of the calculated Hirshfeld surface, are phenyl-H⋯H(phenyl) contacts. Indications for Cu⋯Cg(furyl) contacts (Cu⋯Cg = 3.74 Å) were also found. Interaction energy calculations suggest the contacts between molecules are largely dispersive in nature. International Union of Crystallography 2019-05-14 /pmc/articles/PMC6658952/ /pubmed/31391968 http://dx.doi.org/10.1107/S2056989019006145 Text en © Yusof et al. 2019 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 Yusof, Enis Nadia Md Nasri, Nazhirah Muhammad Ravoof, Thahira B. S. A. Jotani, Mukesh M. Tiekink, Edward R. T. Bis[S-benzyl 3-(furan-2-ylmethylidene)dithiocarbazato-κ(2) N (3),S]copper(II): crystal structure and Hirshfeld surface analysis |
title | Bis[S-benzyl 3-(furan-2-ylmethylidene)dithiocarbazato-κ(2)
N
(3),S]copper(II): crystal structure and Hirshfeld surface analysis |
title_full | Bis[S-benzyl 3-(furan-2-ylmethylidene)dithiocarbazato-κ(2)
N
(3),S]copper(II): crystal structure and Hirshfeld surface analysis |
title_fullStr | Bis[S-benzyl 3-(furan-2-ylmethylidene)dithiocarbazato-κ(2)
N
(3),S]copper(II): crystal structure and Hirshfeld surface analysis |
title_full_unstemmed | Bis[S-benzyl 3-(furan-2-ylmethylidene)dithiocarbazato-κ(2)
N
(3),S]copper(II): crystal structure and Hirshfeld surface analysis |
title_short | Bis[S-benzyl 3-(furan-2-ylmethylidene)dithiocarbazato-κ(2)
N
(3),S]copper(II): crystal structure and Hirshfeld surface analysis |
title_sort | bis[s-benzyl 3-(furan-2-ylmethylidene)dithiocarbazato-κ(2)
n
(3),s]copper(ii): crystal structure and hirshfeld surface analysis |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6658952/ https://www.ncbi.nlm.nih.gov/pubmed/31391968 http://dx.doi.org/10.1107/S2056989019006145 |
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