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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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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. |
format | Online Article Text |
id | pubmed-7057360 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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