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Bis(4-meth­oxy­chalcone 4-ethyl­thio­semi­carbazon­ato-κ(2) N (1),S)zinc(II): crystal structure and Hirshfeld surface analysis

The title Zn(II) complex, [Zn(C(19)H(20)N(3)OS)(2)] {systematic name: bis­[(N-ethyl-N′-{(Z)-[(2E)-3-(4-meth­oxy­phen­yl)-1-phenyl­prop-2-en-1-yl­idene]amino}­carb­am­im­id­o­yl)sulfanido]zinc(II)}, features a tetra­hedrally coordinated Zn(II) ion within an N(2)S(2) donor set provided by two N,S-chel...

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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 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5956326/
https://www.ncbi.nlm.nih.gov/pubmed/29850043
http://dx.doi.org/10.1107/S2056989018000282
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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(19)H(20)N(3)OS)(2)] {systematic name: bis­[(N-ethyl-N′-{(Z)-[(2E)-3-(4-meth­oxy­phen­yl)-1-phenyl­prop-2-en-1-yl­idene]amino}­carb­am­im­id­o­yl)sulfanido]zinc(II)}, features a tetra­hedrally coordinated Zn(II) ion within an N(2)S(2) donor set provided by two N,S-chelating thio­semicarbazone anions. The resulting five-membered Zn,C,N(2),S chelate rings adopt different conformations, i.e. almost planar and an envelope with the Zn atom being the flap atom. The configuration about the imine bond within the chelate ring is Z but those about the exocyclic imine and ethyl­ene bonds are E. In the crystal, supra­molecular [100] chains mediated by thio­amide-N—H⋯S(thione) hydrogen bonds and eight-membered thio­amide {⋯HNCS}(2) synthons are observed. A range of inter­actions, including C—H⋯O, C—H⋯π, C—H⋯π(chelate ring) and π(meth­oxy­benzene)—π(chelate ring) consolidate the packing. The Hirshfeld surface analysis performed on the title complex also indicates the influence of the inter­actions involving the chelate rings upon the packing along with the more conventional contacts.
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spelling pubmed-59563262018-05-30 Bis(4-meth­oxy­chalcone 4-ethyl­thio­semi­carbazon­ato-κ(2) N (1),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(19)H(20)N(3)OS)(2)] {systematic name: bis­[(N-ethyl-N′-{(Z)-[(2E)-3-(4-meth­oxy­phen­yl)-1-phenyl­prop-2-en-1-yl­idene]amino}­carb­am­im­id­o­yl)sulfanido]zinc(II)}, features a tetra­hedrally coordinated Zn(II) ion within an N(2)S(2) donor set provided by two N,S-chelating thio­semicarbazone anions. The resulting five-membered Zn,C,N(2),S chelate rings adopt different conformations, i.e. almost planar and an envelope with the Zn atom being the flap atom. The configuration about the imine bond within the chelate ring is Z but those about the exocyclic imine and ethyl­ene bonds are E. In the crystal, supra­molecular [100] chains mediated by thio­amide-N—H⋯S(thione) hydrogen bonds and eight-membered thio­amide {⋯HNCS}(2) synthons are observed. A range of inter­actions, including C—H⋯O, C—H⋯π, C—H⋯π(chelate ring) and π(meth­oxy­benzene)—π(chelate ring) consolidate the packing. The Hirshfeld surface analysis performed on the title complex also indicates the influence of the inter­actions involving the chelate rings upon the packing along with the more conventional contacts. International Union of Crystallography 2018-01-12 /pmc/articles/PMC5956326/ /pubmed/29850043 http://dx.doi.org/10.1107/S2056989018000282 Text en © Tan et al. 2018 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(4-meth­oxy­chalcone 4-ethyl­thio­semi­carbazon­ato-κ(2) N (1),S)zinc(II): crystal structure and Hirshfeld surface analysis
title Bis(4-meth­oxy­chalcone 4-ethyl­thio­semi­carbazon­ato-κ(2) N (1),S)zinc(II): crystal structure and Hirshfeld surface analysis
title_full Bis(4-meth­oxy­chalcone 4-ethyl­thio­semi­carbazon­ato-κ(2) N (1),S)zinc(II): crystal structure and Hirshfeld surface analysis
title_fullStr Bis(4-meth­oxy­chalcone 4-ethyl­thio­semi­carbazon­ato-κ(2) N (1),S)zinc(II): crystal structure and Hirshfeld surface analysis
title_full_unstemmed Bis(4-meth­oxy­chalcone 4-ethyl­thio­semi­carbazon­ato-κ(2) N (1),S)zinc(II): crystal structure and Hirshfeld surface analysis
title_short Bis(4-meth­oxy­chalcone 4-ethyl­thio­semi­carbazon­ato-κ(2) N (1),S)zinc(II): crystal structure and Hirshfeld surface analysis
title_sort bis(4-meth­oxy­chalcone 4-ethyl­thio­semi­carbazon­ato-κ(2) n (1),s)zinc(ii): crystal structure and hirshfeld surface analysis
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5956326/
https://www.ncbi.nlm.nih.gov/pubmed/29850043
http://dx.doi.org/10.1107/S2056989018000282
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