Cargando…
Crystal structure and Hirshfeld surface analysis of 2,2′-{(1E,1′E)-[ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis[4-(trifluoromethoxy)phenol]copper(II) hydroquinone hemisolvate
In the title complex, [Cu(C(18)H(12)F(6)N(2)O(4))]·0.5C(6)H(6)O(2), the Cu(II) ion has a square-planar coordination geometry, being ligated by two N and two O atoms of the tetradentate open-chain Schiff base ligand 6,6′-{(1E,1′E)-[ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis[2-(...
Autores principales: | , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6829737/ https://www.ncbi.nlm.nih.gov/pubmed/31709098 http://dx.doi.org/10.1107/S2056989019014294 |
_version_ | 1783465627409711104 |
---|---|
author | Kansiz, Sevgi Meral, Seher Dege, Necmi Agar, Aysen Alaman Fritsky, Igor O. |
author_facet | Kansiz, Sevgi Meral, Seher Dege, Necmi Agar, Aysen Alaman Fritsky, Igor O. |
author_sort | Kansiz, Sevgi |
collection | PubMed |
description | In the title complex, [Cu(C(18)H(12)F(6)N(2)O(4))]·0.5C(6)H(6)O(2), the Cu(II) ion has a square-planar coordination geometry, being ligated by two N and two O atoms of the tetradentate open-chain Schiff base ligand 6,6′-{(1E,1′E)-[ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis[2-(trifluoromethoxy)phenol]. The crystal packing is stabilized by intramolecular O—H⋯O and intermolecular C—H⋯F, C—H⋯O and C—H⋯π hydrogen bonds. In addition, weak π–π interactions form a three-dimensional structure. Hirshfeld surface analysis and two-dimensional fingerprint plots were performed and created to analyze the intermolecular interactions present in the crystal, indicating that the most important contributions for the crystal packing are from F⋯H/H⋯F (25.7%), H⋯H (23.5%) and C⋯H/H⋯C (12.6%) interactions. |
format | Online Article Text |
id | pubmed-6829737 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-68297372019-11-08 Crystal structure and Hirshfeld surface analysis of 2,2′-{(1E,1′E)-[ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis[4-(trifluoromethoxy)phenol]copper(II) hydroquinone hemisolvate Kansiz, Sevgi Meral, Seher Dege, Necmi Agar, Aysen Alaman Fritsky, Igor O. Acta Crystallogr E Crystallogr Commun Research Communications In the title complex, [Cu(C(18)H(12)F(6)N(2)O(4))]·0.5C(6)H(6)O(2), the Cu(II) ion has a square-planar coordination geometry, being ligated by two N and two O atoms of the tetradentate open-chain Schiff base ligand 6,6′-{(1E,1′E)-[ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis[2-(trifluoromethoxy)phenol]. The crystal packing is stabilized by intramolecular O—H⋯O and intermolecular C—H⋯F, C—H⋯O and C—H⋯π hydrogen bonds. In addition, weak π–π interactions form a three-dimensional structure. Hirshfeld surface analysis and two-dimensional fingerprint plots were performed and created to analyze the intermolecular interactions present in the crystal, indicating that the most important contributions for the crystal packing are from F⋯H/H⋯F (25.7%), H⋯H (23.5%) and C⋯H/H⋯C (12.6%) interactions. International Union of Crystallography 2019-10-29 /pmc/articles/PMC6829737/ /pubmed/31709098 http://dx.doi.org/10.1107/S2056989019014294 Text en © Kansiz 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 Kansiz, Sevgi Meral, Seher Dege, Necmi Agar, Aysen Alaman Fritsky, Igor O. Crystal structure and Hirshfeld surface analysis of 2,2′-{(1E,1′E)-[ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis[4-(trifluoromethoxy)phenol]copper(II) hydroquinone hemisolvate |
title | Crystal structure and Hirshfeld surface analysis of 2,2′-{(1E,1′E)-[ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis[4-(trifluoromethoxy)phenol]copper(II) hydroquinone hemisolvate |
title_full | Crystal structure and Hirshfeld surface analysis of 2,2′-{(1E,1′E)-[ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis[4-(trifluoromethoxy)phenol]copper(II) hydroquinone hemisolvate |
title_fullStr | Crystal structure and Hirshfeld surface analysis of 2,2′-{(1E,1′E)-[ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis[4-(trifluoromethoxy)phenol]copper(II) hydroquinone hemisolvate |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of 2,2′-{(1E,1′E)-[ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis[4-(trifluoromethoxy)phenol]copper(II) hydroquinone hemisolvate |
title_short | Crystal structure and Hirshfeld surface analysis of 2,2′-{(1E,1′E)-[ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis[4-(trifluoromethoxy)phenol]copper(II) hydroquinone hemisolvate |
title_sort | crystal structure and hirshfeld surface analysis of 2,2′-{(1e,1′e)-[ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis[4-(trifluoromethoxy)phenol]copper(ii) hydroquinone hemisolvate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6829737/ https://www.ncbi.nlm.nih.gov/pubmed/31709098 http://dx.doi.org/10.1107/S2056989019014294 |
work_keys_str_mv | AT kansizsevgi crystalstructureandhirshfeldsurfaceanalysisof221e1eethane12diylbisazanylylidenebismethanylylidenebis4trifluoromethoxyphenolcopperiihydroquinonehemisolvate AT meralseher crystalstructureandhirshfeldsurfaceanalysisof221e1eethane12diylbisazanylylidenebismethanylylidenebis4trifluoromethoxyphenolcopperiihydroquinonehemisolvate AT degenecmi crystalstructureandhirshfeldsurfaceanalysisof221e1eethane12diylbisazanylylidenebismethanylylidenebis4trifluoromethoxyphenolcopperiihydroquinonehemisolvate AT agaraysenalaman crystalstructureandhirshfeldsurfaceanalysisof221e1eethane12diylbisazanylylidenebismethanylylidenebis4trifluoromethoxyphenolcopperiihydroquinonehemisolvate AT fritskyigoro crystalstructureandhirshfeldsurfaceanalysisof221e1eethane12diylbisazanylylidenebismethanylylidenebis4trifluoromethoxyphenolcopperiihydroquinonehemisolvate |