Bis[S-benzyl 3-(furan-2-ylmethylidene)dithiocarbazato-κ2 N 3,S]copper(II): crystal structure and Hirshfeld surface analysis
The title CuII complex, [Cu(C13H11N2OS2)2], features a trans-N2S2 donor set as a result of the CuII 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-p...
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International Union of Crystallography
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my.sunway.eprints.10442020-10-07T08:40:10Z http://eprints.sunway.edu.my/1044/ Bis[S-benzyl 3-(furan-2-ylmethylidene)dithiocarbazato-κ2 N 3,S]copper(II): crystal structure and Hirshfeld surface analysis Enis Nadia Md Yusof, Nazhirah M Nasri, Ravoof, Thahira Begum S. A. Jotani, Mukesh M. Tiekink, Edward R. T. * QD Chemistry The title CuII complex, [Cu(C13H11N2OS2)2], features a trans-N2S2 donor set as a result of the CuII 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) A ˚ and angle of inclination = 5.33 (13)˚] and phenyl-C—H...π(phenyl) interactions sustain supramolecular layers lying parallel to (102). 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 A ˚ ) were also found. Interaction energy calculations suggest the contacts between molecules are largely dispersive in nature International Union of Crystallography 2019-05-02 Article PeerReviewed text en cc_by_nc_4 http://eprints.sunway.edu.my/1044/1/Tiekink%20Bis%20S%20Benzyl%203%20Acta%20Cryst%202019%20E75%20794.pdf Enis Nadia Md Yusof, and Nazhirah M Nasri, and Ravoof, Thahira Begum S. A. and Jotani, Mukesh M. and Tiekink, Edward R. T. * (2019) Bis[S-benzyl 3-(furan-2-ylmethylidene)dithiocarbazato-κ2 N 3,S]copper(II): crystal structure and Hirshfeld surface analysis. Acta Crystallographica Section E Crystallographic Communications, 75 (6). pp. 794-799. ISSN 2056-9890 (In Press) http://doi.org/10.1107/S2056989019006145 doi:10.1107/S2056989019006145 |
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QD Chemistry Enis Nadia Md Yusof, Nazhirah M Nasri, Ravoof, Thahira Begum S. A. Jotani, Mukesh M. Tiekink, Edward R. T. * Bis[S-benzyl 3-(furan-2-ylmethylidene)dithiocarbazato-κ2 N 3,S]copper(II): crystal structure and Hirshfeld surface analysis |
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The title CuII complex, [Cu(C13H11N2OS2)2], features a trans-N2S2 donor set as a result of the CuII 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) A ˚ and angle of inclination = 5.33 (13)˚] and phenyl-C—H...π(phenyl) interactions sustain supramolecular layers lying parallel to (102). 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 A ˚ ) were also found. Interaction energy calculations suggest the contacts between molecules are largely dispersive in nature |
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Article |
author |
Enis Nadia Md Yusof, Nazhirah M Nasri, Ravoof, Thahira Begum S. A. Jotani, Mukesh M. Tiekink, Edward R. T. * |
author_facet |
Enis Nadia Md Yusof, Nazhirah M Nasri, Ravoof, Thahira Begum S. A. Jotani, Mukesh M. Tiekink, Edward R. T. * |
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Enis Nadia Md Yusof, |
title |
Bis[S-benzyl 3-(furan-2-ylmethylidene)dithiocarbazato-κ2 N 3,S]copper(II): crystal structure and Hirshfeld surface analysis |
title_short |
Bis[S-benzyl 3-(furan-2-ylmethylidene)dithiocarbazato-κ2 N 3,S]copper(II): crystal structure and Hirshfeld surface analysis |
title_full |
Bis[S-benzyl 3-(furan-2-ylmethylidene)dithiocarbazato-κ2 N 3,S]copper(II): crystal structure and Hirshfeld surface analysis |
title_fullStr |
Bis[S-benzyl 3-(furan-2-ylmethylidene)dithiocarbazato-κ2 N 3,S]copper(II): crystal structure and Hirshfeld surface analysis |
title_full_unstemmed |
Bis[S-benzyl 3-(furan-2-ylmethylidene)dithiocarbazato-κ2 N 3,S]copper(II): crystal structure and Hirshfeld surface analysis |
title_sort |
bis[s-benzyl 3-(furan-2-ylmethylidene)dithiocarbazato-κ2 n 3,s]copper(ii): crystal structure and hirshfeld surface analysis |
publisher |
International Union of Crystallography |
publishDate |
2019 |
url |
http://eprints.sunway.edu.my/1044/1/Tiekink%20Bis%20S%20Benzyl%203%20Acta%20Cryst%202019%20E75%20794.pdf http://eprints.sunway.edu.my/1044/ http://doi.org/10.1107/S2056989019006145 |
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