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Crystal structure of dichlorido(2,2′:6′,2′′-terpyridine-κ(3) N,N′,N′′)zinc: a redetermination
The crystal structure of the title compound, [ZnCl(2)(C(15)H(11)N(3))], 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...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257341/ https://www.ncbi.nlm.nih.gov/pubmed/25484786 http://dx.doi.org/10.1107/S1600536814023605 |
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author | Kong, Cheng-Cheng Zhou, Jia-Zheng Yu, Jian-Hua Li, Sheng-Li |
author_facet | Kong, Cheng-Cheng Zhou, Jia-Zheng Yu, Jian-Hua Li, Sheng-Li |
author_sort | Kong, Cheng-Cheng |
collection | PubMed |
description | The crystal structure of the title compound, [ZnCl(2)(C(15)H(11)N(3))], 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 Zn(II) 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. |
format | Online Article Text |
id | pubmed-4257341 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-42573412014-12-05 Crystal structure of dichlorido(2,2′:6′,2′′-terpyridine-κ(3) N,N′,N′′)zinc: a redetermination Kong, Cheng-Cheng Zhou, Jia-Zheng Yu, Jian-Hua Li, Sheng-Li Acta Crystallogr Sect E Struct Rep Online Data Reports The crystal structure of the title compound, [ZnCl(2)(C(15)H(11)N(3))], 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 Zn(II) 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. International Union of Crystallography 2014-10-31 /pmc/articles/PMC4257341/ /pubmed/25484786 http://dx.doi.org/10.1107/S1600536814023605 Text en © Kong et al. 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Data Reports Kong, Cheng-Cheng Zhou, Jia-Zheng Yu, Jian-Hua Li, Sheng-Li Crystal structure of dichlorido(2,2′:6′,2′′-terpyridine-κ(3) N,N′,N′′)zinc: a redetermination |
title | Crystal structure of dichlorido(2,2′:6′,2′′-terpyridine-κ(3)
N,N′,N′′)zinc: a redetermination |
title_full | Crystal structure of dichlorido(2,2′:6′,2′′-terpyridine-κ(3)
N,N′,N′′)zinc: a redetermination |
title_fullStr | Crystal structure of dichlorido(2,2′:6′,2′′-terpyridine-κ(3)
N,N′,N′′)zinc: a redetermination |
title_full_unstemmed | Crystal structure of dichlorido(2,2′:6′,2′′-terpyridine-κ(3)
N,N′,N′′)zinc: a redetermination |
title_short | Crystal structure of dichlorido(2,2′:6′,2′′-terpyridine-κ(3)
N,N′,N′′)zinc: a redetermination |
title_sort | crystal structure of dichlorido(2,2′:6′,2′′-terpyridine-κ(3)
n,n′,n′′)zinc: a redetermination |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257341/ https://www.ncbi.nlm.nih.gov/pubmed/25484786 http://dx.doi.org/10.1107/S1600536814023605 |
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