Crystal structure of dichlorido(2,2′:6′,2′′-terpyridine-κ3N,N′,N′′)zinc: a redetermination
The crystal structure of the title compound, [ZnCl2(C15H11N3)], was redetermined based on modern CCD data. In comparison with the previous determination from photographic film data [Corbridge & Cox (1956). J. Chem. Soc. 159, 594–603; Einstein & Penfold (1966). Acta Cryst. 20, 924–926], all n...
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| Format: | Article |
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International Union of Crystallography
2014-11-01
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| Series: | Acta Crystallographica Section E |
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536814023605 |
| _version_ | 1819291436429869056 |
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| author | Cheng-Cheng Kong Jia-Zheng Zhou Jian-Hua Yu Sheng-Li Li |
| author_facet | Cheng-Cheng Kong Jia-Zheng Zhou Jian-Hua Yu Sheng-Li Li |
| author_sort | Cheng-Cheng Kong |
| collection | DOAJ |
| description | The crystal structure of the title compound, [ZnCl2(C15H11N3)], was redetermined based on modern CCD data. In comparison with the previous determination from photographic film data [Corbridge & Cox (1956). J. Chem. Soc. 159, 594–603; Einstein & Penfold (1966). Acta Cryst. 20, 924–926], all non-H atoms were refined with anisotropic displacement parameters, leading to a much higher precision in terms of bond lengths and angles [e.g. Zn—Cl = 2.2684 (8) and 2.2883 (11) compared to 2.25 (1) and 2.27 (1) Å]. In the title molecule, the ZnII atom is five-coordinated in a distorted square-pyramidal mode by two Cl atoms and by the three N atoms from the 2,2′:6′,2′′-terpyridine ligand. The latter is not planar and shows dihedral angles between the least-squares planes of the central pyridine ring and the terminal rings of 3.18 (8) and 6.36 (9)°. The molecules in the crystal structure pack with π–π interactions [centroid–centroid distance = 3.655 (2) Å] between pyridine rings of neighbouring terpyridine moieties. These, together with intermolecular C—H...Cl interactions, stablize the three-dimensional structure. |
| first_indexed | 2024-12-24T03:38:36Z |
| format | Article |
| id | doaj.art-af930e97642f48ba98f2fbb4cefe837e |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-24T03:38:36Z |
| publishDate | 2014-11-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-af930e97642f48ba98f2fbb4cefe837e2022-12-21T17:16:59ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-11-017011m382m38310.1107/S1600536814023605wm5082Crystal structure of dichlorido(2,2′:6′,2′′-terpyridine-κ3N,N′,N′′)zinc: a redeterminationCheng-Cheng Kong0Jia-Zheng Zhou1Jian-Hua Yu2Sheng-Li Li3Deparment of Chemistry, Anhui University, Hefei 230039, Peoples Republic of China, Key Laboratory of Functional Inorganic Materials, Chemistry, Hefei 230039, People's Republic of ChinaDeparment of Chemistry, Anhui University, Hefei 230039, Peoples Republic of China, Key Laboratory of Functional Inorganic Materials, Chemistry, Hefei 230039, People's Republic of ChinaDeparment of Chemistry, Anhui University, Hefei 230039, Peoples Republic of China, Key Laboratory of Functional Inorganic Materials, Chemistry, Hefei 230039, People's Republic of ChinaDeparment of Chemistry, Anhui University, Hefei 230039, Peoples Republic of China, Key Laboratory of Functional Inorganic Materials, Chemistry, Hefei 230039, People's Republic of ChinaThe crystal structure of the title compound, [ZnCl2(C15H11N3)], was redetermined based on modern CCD data. In comparison with the previous determination from photographic film data [Corbridge & Cox (1956). J. Chem. Soc. 159, 594–603; Einstein & Penfold (1966). Acta Cryst. 20, 924–926], all non-H atoms were refined with anisotropic displacement parameters, leading to a much higher precision in terms of bond lengths and angles [e.g. Zn—Cl = 2.2684 (8) and 2.2883 (11) compared to 2.25 (1) and 2.27 (1) Å]. In the title molecule, the ZnII atom is five-coordinated in a distorted square-pyramidal mode by two Cl atoms and by the three N atoms from the 2,2′:6′,2′′-terpyridine ligand. The latter is not planar and shows dihedral angles between the least-squares planes of the central pyridine ring and the terminal rings of 3.18 (8) and 6.36 (9)°. The molecules in the crystal structure pack with π–π interactions [centroid–centroid distance = 3.655 (2) Å] between pyridine rings of neighbouring terpyridine moieties. These, together with intermolecular C—H...Cl interactions, stablize the three-dimensional structure.http://scripts.iucr.org/cgi-bin/paper?S1600536814023605crystal structureredetermination2,2′:6′,2′′-terpyridinezinc complexπ–π interactions |
| spellingShingle | Cheng-Cheng Kong Jia-Zheng Zhou Jian-Hua Yu Sheng-Li Li Crystal structure of dichlorido(2,2′:6′,2′′-terpyridine-κ3N,N′,N′′)zinc: a redetermination Acta Crystallographica Section E crystal structure redetermination 2,2′:6′,2′′-terpyridine zinc complex π–π interactions |
| title | Crystal structure of dichlorido(2,2′:6′,2′′-terpyridine-κ3N,N′,N′′)zinc: a redetermination |
| title_full | Crystal structure of dichlorido(2,2′:6′,2′′-terpyridine-κ3N,N′,N′′)zinc: a redetermination |
| title_fullStr | Crystal structure of dichlorido(2,2′:6′,2′′-terpyridine-κ3N,N′,N′′)zinc: a redetermination |
| title_full_unstemmed | Crystal structure of dichlorido(2,2′:6′,2′′-terpyridine-κ3N,N′,N′′)zinc: a redetermination |
| title_short | Crystal structure of dichlorido(2,2′:6′,2′′-terpyridine-κ3N,N′,N′′)zinc: a redetermination |
| title_sort | crystal structure of dichlorido 2 2 6 2 terpyridine κ3n n n zinc a redetermination |
| topic | crystal structure redetermination 2,2′:6′,2′′-terpyridine zinc complex π–π interactions |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536814023605 |
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