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(C18H12F6N2O4)]·0.5C6H6O2, the CuII 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]....
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2019-11-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989019014294 |
| _version_ | 1818322051197304832 |
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| author | Sevgi Kansiz Seher Meral Necmi Dege Aysen Alaman Agar Igor O. Fritsky |
| author_facet | Sevgi Kansiz Seher Meral Necmi Dege Aysen Alaman Agar Igor O. Fritsky |
| author_sort | Sevgi Kansiz |
| collection | DOAJ |
| description | In the title complex, [Cu(C18H12F6N2O4)]·0.5C6H6O2, the CuII 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. |
| first_indexed | 2024-12-13T10:50:39Z |
| format | Article |
| id | doaj.art-ab0fe426018a4f3fa87fbe20cc6fef04 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-13T10:50:39Z |
| publishDate | 2019-11-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-ab0fe426018a4f3fa87fbe20cc6fef042022-12-21T23:49:51ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902019-11-0175111729173310.1107/S2056989019014294lh5932Crystal 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 hemisolvateSevgi Kansiz0Seher Meral1Necmi Dege2Aysen Alaman Agar3Igor O. Fritsky4Department of Physics, Faculty of Arts and Sciences, Ondokuz Mayıs University, 55139 Kurupelit, Samsun, TurkeyBoyabat Vocational School, Sinop University, 57200 Sinop, TurkeyDepartment of Physics, Faculty of Arts and Sciences, Ondokuz Mayıs University, 55139 Kurupelit, Samsun, TurkeyDepartment of Chemistry, Faculty of Arts and Sciences, Ondokuz Mayıs University, 55139 Kurupelit, Samsun, TurkeyDepartment of Chemistry, Taras Shevchenko National University of Kyiv, 64 Vladimirska Str., Kiev 01601, UkraineIn the title complex, [Cu(C18H12F6N2O4)]·0.5C6H6O2, the CuII 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.http://scripts.iucr.org/cgi-bin/paper?S2056989019014294crystal structurecopper (ii)salen-type schiff basehirshfeld surface |
| spellingShingle | Sevgi Kansiz Seher Meral Necmi Dege Aysen Alaman Agar Igor O. Fritsky 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 Acta Crystallographica Section E: Crystallographic Communications crystal structure copper (ii) salen-type schiff base hirshfeld surface |
| 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 | crystal structure copper (ii) salen-type schiff base hirshfeld surface |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989019014294 |
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