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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...

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Autores principales: Yusof, Enis Nadia Md, Nasri, Nazhirah Muhammad, Ravoof, Thahira B. S. A., Jotani, Mukesh M., Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
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.
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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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