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The crystal structures and Hirshfeld surface analyses of a cadmium(II) and a zinc(II) mononuclear complex of the new tetrakis-substituted pyrazine ligand N,N′,N′′,N′′′-[pyrazine-2,3,5,6-tetra­yltetra­kis­(methyl­ene)]tetra­kis­(N-methyl­aniline)

The whole mol­ecule of the cadmium(II) complex, di­iodido­{N,N′,N′′,N′′′-[pyrazine-2,3,5,6-tetra­yltetra­kis­(methyl­ene)]tetra­kis­(N-methyl­aniline)-κ(3) N (2),N (1),N (6)}cadmium(II), [CdI(2)(C(36)H(40)N(6))], (I), of the ligand N,N′,N′′,N′′′-[pyrazine-2,3,5,6-tetra­yltetra­kis­(methyl­ene)]tetra...

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Autores principales: Tesouro Vallina, Ana, Stoeckli-Evans, Helen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7057360/
https://www.ncbi.nlm.nih.gov/pubmed/32148885
http://dx.doi.org/10.1107/S2056989020001644
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author Tesouro Vallina, Ana
Stoeckli-Evans, Helen
author_facet Tesouro Vallina, Ana
Stoeckli-Evans, Helen
author_sort Tesouro Vallina, Ana
collection PubMed
description The whole mol­ecule of the cadmium(II) complex, di­iodido­{N,N′,N′′,N′′′-[pyrazine-2,3,5,6-tetra­yltetra­kis­(methyl­ene)]tetra­kis­(N-methyl­aniline)-κ(3) N (2),N (1),N (6)}cadmium(II), [CdI(2)(C(36)H(40)N(6))], (I), of the ligand N,N′,N′′,N′′′-[pyrazine-2,3,5,6-tetra­yltetra­kis­(methyl­ene)]tetra­kis­(N-methyl­aniline) (L), is generated by a twofold rotation symmetry; the twofold axis bis­ects the cadmium atom and the nitro­gen atoms of the pyrazine ring. The ligand coordinates in a mono-tridentate manner and the cadmium atom has a fivefold CdN(3)I(2) coordination environment with a distorted shape. In the zinc(II) complex, dichlorido{N,N′,N′′,N′′′-[pyrazine-2,3,5,6-tetra­yltetra­kis­(methyl­ene)]tetra­kis­(N-methyl­aniline)-κ(3) N (2),N (1),N (6)}zinc(II) di­chloro­methane 0.6-solvate, [ZnCl(2)(C(36)H(40)N(6))]·0.6CH(2)Cl(2), (II), ligand L also coordinates in a mono-tridentate manner and the zinc atom has a fivefold ZnN(3)Cl(2) coordination environment with a distorted shape. It crystallized as a partial di­chloro­methane solvate. In the crystal of I, the complex mol­ecules are linked by weak C—H⋯I contacts, forming ribbons propagating along [100]. In the crystal of II, the complex mol­ecules are linked by a series of C—H⋯π inter­actions, forming layers lying parallel to the (1[Image: see text]1) plane. In the crystals of both compounds there are metal–halide⋯π(pyrazine) contacts present. The Hirshfeld analyses confirm the importance of the C—H⋯halide contacts in the crystal packing of both compounds.
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spelling pubmed-70573602020-03-06 The crystal structures and Hirshfeld surface analyses of a cadmium(II) and a zinc(II) mononuclear complex of the new tetrakis-substituted pyrazine ligand N,N′,N′′,N′′′-[pyrazine-2,3,5,6-tetra­yltetra­kis­(methyl­ene)]tetra­kis­(N-methyl­aniline) Tesouro Vallina, Ana Stoeckli-Evans, Helen Acta Crystallogr E Crystallogr Commun Research Communications The whole mol­ecule of the cadmium(II) complex, di­iodido­{N,N′,N′′,N′′′-[pyrazine-2,3,5,6-tetra­yltetra­kis­(methyl­ene)]tetra­kis­(N-methyl­aniline)-κ(3) N (2),N (1),N (6)}cadmium(II), [CdI(2)(C(36)H(40)N(6))], (I), of the ligand N,N′,N′′,N′′′-[pyrazine-2,3,5,6-tetra­yltetra­kis­(methyl­ene)]tetra­kis­(N-methyl­aniline) (L), is generated by a twofold rotation symmetry; the twofold axis bis­ects the cadmium atom and the nitro­gen atoms of the pyrazine ring. The ligand coordinates in a mono-tridentate manner and the cadmium atom has a fivefold CdN(3)I(2) coordination environment with a distorted shape. In the zinc(II) complex, dichlorido{N,N′,N′′,N′′′-[pyrazine-2,3,5,6-tetra­yltetra­kis­(methyl­ene)]tetra­kis­(N-methyl­aniline)-κ(3) N (2),N (1),N (6)}zinc(II) di­chloro­methane 0.6-solvate, [ZnCl(2)(C(36)H(40)N(6))]·0.6CH(2)Cl(2), (II), ligand L also coordinates in a mono-tridentate manner and the zinc atom has a fivefold ZnN(3)Cl(2) coordination environment with a distorted shape. It crystallized as a partial di­chloro­methane solvate. In the crystal of I, the complex mol­ecules are linked by weak C—H⋯I contacts, forming ribbons propagating along [100]. In the crystal of II, the complex mol­ecules are linked by a series of C—H⋯π inter­actions, forming layers lying parallel to the (1[Image: see text]1) plane. In the crystals of both compounds there are metal–halide⋯π(pyrazine) contacts present. The Hirshfeld analyses confirm the importance of the C—H⋯halide contacts in the crystal packing of both compounds. International Union of Crystallography 2020-02-18 /pmc/articles/PMC7057360/ /pubmed/32148885 http://dx.doi.org/10.1107/S2056989020001644 Text en © Tesouro Vallina and Stoeckli-Evans 2020 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
Tesouro Vallina, Ana
Stoeckli-Evans, Helen
The crystal structures and Hirshfeld surface analyses of a cadmium(II) and a zinc(II) mononuclear complex of the new tetrakis-substituted pyrazine ligand N,N′,N′′,N′′′-[pyrazine-2,3,5,6-tetra­yltetra­kis­(methyl­ene)]tetra­kis­(N-methyl­aniline)
title The crystal structures and Hirshfeld surface analyses of a cadmium(II) and a zinc(II) mononuclear complex of the new tetrakis-substituted pyrazine ligand N,N′,N′′,N′′′-[pyrazine-2,3,5,6-tetra­yltetra­kis­(methyl­ene)]tetra­kis­(N-methyl­aniline)
title_full The crystal structures and Hirshfeld surface analyses of a cadmium(II) and a zinc(II) mononuclear complex of the new tetrakis-substituted pyrazine ligand N,N′,N′′,N′′′-[pyrazine-2,3,5,6-tetra­yltetra­kis­(methyl­ene)]tetra­kis­(N-methyl­aniline)
title_fullStr The crystal structures and Hirshfeld surface analyses of a cadmium(II) and a zinc(II) mononuclear complex of the new tetrakis-substituted pyrazine ligand N,N′,N′′,N′′′-[pyrazine-2,3,5,6-tetra­yltetra­kis­(methyl­ene)]tetra­kis­(N-methyl­aniline)
title_full_unstemmed The crystal structures and Hirshfeld surface analyses of a cadmium(II) and a zinc(II) mononuclear complex of the new tetrakis-substituted pyrazine ligand N,N′,N′′,N′′′-[pyrazine-2,3,5,6-tetra­yltetra­kis­(methyl­ene)]tetra­kis­(N-methyl­aniline)
title_short The crystal structures and Hirshfeld surface analyses of a cadmium(II) and a zinc(II) mononuclear complex of the new tetrakis-substituted pyrazine ligand N,N′,N′′,N′′′-[pyrazine-2,3,5,6-tetra­yltetra­kis­(methyl­ene)]tetra­kis­(N-methyl­aniline)
title_sort crystal structures and hirshfeld surface analyses of a cadmium(ii) and a zinc(ii) mononuclear complex of the new tetrakis-substituted pyrazine ligand n,n′,n′′,n′′′-[pyrazine-2,3,5,6-tetra­yltetra­kis­(methyl­ene)]tetra­kis­(n-methyl­aniline)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7057360/
https://www.ncbi.nlm.nih.gov/pubmed/32148885
http://dx.doi.org/10.1107/S2056989020001644
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