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Bis(N′-{(E)-[(2E)-1,3-di­phenyl­prop-2-en-1-yl­idene]amino}-N-ethyl­carbamimido­thio­ato-κ(2) N′,S)zinc(II): crystal structure and Hirshfeld surface analysis

The title Zn(II) complex, [Zn(C(18)H(18)N(3)S)(2)], (I), features two independent but chemically equivalent mol­ecules in the asymmetric unit. In each, the thio­semicarbazonate monoanion coordinates the Zn(II) atom via the thiol­ate-S and imine-N atoms, with the resulting N(2)S(2) donor set defining...

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Autores principales: Tan, Ming Yueh, Crouse, Karen A., Ravoof, Thahira B. S. A., Jotani, Mukesh M., Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5499278/
https://www.ncbi.nlm.nih.gov/pubmed/28775870
http://dx.doi.org/10.1107/S2056989017008064
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author Tan, Ming Yueh
Crouse, Karen A.
Ravoof, Thahira B. S. A.
Jotani, Mukesh M.
Tiekink, Edward R. T.
author_facet Tan, Ming Yueh
Crouse, Karen A.
Ravoof, Thahira B. S. A.
Jotani, Mukesh M.
Tiekink, Edward R. T.
author_sort Tan, Ming Yueh
collection PubMed
description The title Zn(II) complex, [Zn(C(18)H(18)N(3)S)(2)], (I), features two independent but chemically equivalent mol­ecules in the asymmetric unit. In each, the thio­semicarbazonate monoanion coordinates the Zn(II) atom via the thiol­ate-S and imine-N atoms, with the resulting N(2)S(2) donor set defining a distorted tetra­hedral geometry. The five-membered ZnSCN(2) chelate rings adopt distinct conformations in each independent mol­ecule, i.e. one ring is almost planar while the other is twisted about the Zn—S bond. In the crystal, the two mol­ecules comprising the asymmetric unit are linked by amine-N—H⋯N(imine) and amine-N—H⋯S(thiol­ate) hydrogen bonds via an eight-membered heterosynthon, {⋯HNCN⋯HNCS}. The dimeric aggregates are further consolidated by benzene-C—H⋯S(thiol­ate) inter­actions and are linked into a zigzag supra­molecular chain along the c axis via amine-N—H⋯S(thiol­ate) hydrogen bonds. The chains are connected into a three-dimensional architecture via phenyl-C—H⋯π(phen­yl) and π–π inter­actions, the latter occurring between chelate and phenyl rings [inter-centroid separation = 3.6873 (11) Å]. The analysis of the Hirshfeld surfaces calculated for (I) emphasizes the different inter­actions formed by the independent mol­ecules in the crystal and the impact of the π–π inter­actions between chelate and phenyl rings.
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spelling pubmed-54992782017-08-03 Bis(N′-{(E)-[(2E)-1,3-di­phenyl­prop-2-en-1-yl­idene]amino}-N-ethyl­carbamimido­thio­ato-κ(2) N′,S)zinc(II): crystal structure and Hirshfeld surface analysis Tan, Ming Yueh Crouse, Karen A. Ravoof, Thahira B. S. A. Jotani, Mukesh M. Tiekink, Edward R. T. Acta Crystallogr E Crystallogr Commun Research Communications The title Zn(II) complex, [Zn(C(18)H(18)N(3)S)(2)], (I), features two independent but chemically equivalent mol­ecules in the asymmetric unit. In each, the thio­semicarbazonate monoanion coordinates the Zn(II) atom via the thiol­ate-S and imine-N atoms, with the resulting N(2)S(2) donor set defining a distorted tetra­hedral geometry. The five-membered ZnSCN(2) chelate rings adopt distinct conformations in each independent mol­ecule, i.e. one ring is almost planar while the other is twisted about the Zn—S bond. In the crystal, the two mol­ecules comprising the asymmetric unit are linked by amine-N—H⋯N(imine) and amine-N—H⋯S(thiol­ate) hydrogen bonds via an eight-membered heterosynthon, {⋯HNCN⋯HNCS}. The dimeric aggregates are further consolidated by benzene-C—H⋯S(thiol­ate) inter­actions and are linked into a zigzag supra­molecular chain along the c axis via amine-N—H⋯S(thiol­ate) hydrogen bonds. The chains are connected into a three-dimensional architecture via phenyl-C—H⋯π(phen­yl) and π–π inter­actions, the latter occurring between chelate and phenyl rings [inter-centroid separation = 3.6873 (11) Å]. The analysis of the Hirshfeld surfaces calculated for (I) emphasizes the different inter­actions formed by the independent mol­ecules in the crystal and the impact of the π–π inter­actions between chelate and phenyl rings. International Union of Crystallography 2017-06-13 /pmc/articles/PMC5499278/ /pubmed/28775870 http://dx.doi.org/10.1107/S2056989017008064 Text en © Tan et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ 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/2.0/uk/
spellingShingle Research Communications
Tan, Ming Yueh
Crouse, Karen A.
Ravoof, Thahira B. S. A.
Jotani, Mukesh M.
Tiekink, Edward R. T.
Bis(N′-{(E)-[(2E)-1,3-di­phenyl­prop-2-en-1-yl­idene]amino}-N-ethyl­carbamimido­thio­ato-κ(2) N′,S)zinc(II): crystal structure and Hirshfeld surface analysis
title Bis(N′-{(E)-[(2E)-1,3-di­phenyl­prop-2-en-1-yl­idene]amino}-N-ethyl­carbamimido­thio­ato-κ(2) N′,S)zinc(II): crystal structure and Hirshfeld surface analysis
title_full Bis(N′-{(E)-[(2E)-1,3-di­phenyl­prop-2-en-1-yl­idene]amino}-N-ethyl­carbamimido­thio­ato-κ(2) N′,S)zinc(II): crystal structure and Hirshfeld surface analysis
title_fullStr Bis(N′-{(E)-[(2E)-1,3-di­phenyl­prop-2-en-1-yl­idene]amino}-N-ethyl­carbamimido­thio­ato-κ(2) N′,S)zinc(II): crystal structure and Hirshfeld surface analysis
title_full_unstemmed Bis(N′-{(E)-[(2E)-1,3-di­phenyl­prop-2-en-1-yl­idene]amino}-N-ethyl­carbamimido­thio­ato-κ(2) N′,S)zinc(II): crystal structure and Hirshfeld surface analysis
title_short Bis(N′-{(E)-[(2E)-1,3-di­phenyl­prop-2-en-1-yl­idene]amino}-N-ethyl­carbamimido­thio­ato-κ(2) N′,S)zinc(II): crystal structure and Hirshfeld surface analysis
title_sort bis(n′-{(e)-[(2e)-1,3-di­phenyl­prop-2-en-1-yl­idene]amino}-n-ethyl­carbamimido­thio­ato-κ(2) n′,s)zinc(ii): crystal structure and hirshfeld surface analysis
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5499278/
https://www.ncbi.nlm.nih.gov/pubmed/28775870
http://dx.doi.org/10.1107/S2056989017008064
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