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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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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. |
format | Online Article Text |
id | pubmed-5956326 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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