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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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Autores principales: Kong, Cheng-Cheng, Zhou, Jia-Zheng, Yu, Jian-Hua, Li, Sheng-Li
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
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.
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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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