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Crystal structure of {N (1),N (3)-bis[(1-benzyl-1H-1,2,3-triazol-4-yl)methylidene]-2,2-dimethylpropane-1,3-diamine}bis(thiocyanato-κN)iron(II)
The unit cell of the title compound, [Fe(II)(NCS)(2)(C(25)H(28)N(8))], consists of two charge-neutral complex molecules related by an inversion centre. In the complex molecule, the tetradentate ligand N (1),N (3)-bis[(1-benzyl-1H-1,2,3-triazol-4-yl)methylene]-2,2-dimethylpropane-1,3-diamine...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7534255/ https://www.ncbi.nlm.nih.gov/pubmed/33117585 http://dx.doi.org/10.1107/S2056989020012608 |
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author | Znovjyak, Kateryna Seredyuk, Maksym Malinkin, Sergey O. Shova, Sergiu Soliev, Lutfullo |
author_facet | Znovjyak, Kateryna Seredyuk, Maksym Malinkin, Sergey O. Shova, Sergiu Soliev, Lutfullo |
author_sort | Znovjyak, Kateryna |
collection | PubMed |
description | The unit cell of the title compound, [Fe(II)(NCS)(2)(C(25)H(28)N(8))], consists of two charge-neutral complex molecules related by an inversion centre. In the complex molecule, the tetradentate ligand N (1),N (3)-bis[(1-benzyl-1H-1,2,3-triazol-4-yl)methylene]-2,2-dimethylpropane-1,3-diamine coordinates to the Fe(II) ion through the N atoms of the 1,2,3-triazole moieties and aldimine groups. Two thiocyanate anions, coordinating through their N atoms, complete the coordination sphere of the central ion. In the crystal, neighbouring molecules are linked through weak C—H⋯π, C—H⋯S and C—H⋯N interactions into a two-dimensional network extending parallel to (011). The intermolecular contacts were quantified using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing the relative contributions of the contacts to the crystal packing to be H⋯H (35.2%), H⋯C/C⋯H (26.4%), H⋯S/S⋯H (19.3%) and H⋯N/N⋯H (13.9%). |
format | Online Article Text |
id | pubmed-7534255 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-75342552020-10-27 Crystal structure of {N (1),N (3)-bis[(1-benzyl-1H-1,2,3-triazol-4-yl)methylidene]-2,2-dimethylpropane-1,3-diamine}bis(thiocyanato-κN)iron(II) Znovjyak, Kateryna Seredyuk, Maksym Malinkin, Sergey O. Shova, Sergiu Soliev, Lutfullo Acta Crystallogr E Crystallogr Commun Research Communications The unit cell of the title compound, [Fe(II)(NCS)(2)(C(25)H(28)N(8))], consists of two charge-neutral complex molecules related by an inversion centre. In the complex molecule, the tetradentate ligand N (1),N (3)-bis[(1-benzyl-1H-1,2,3-triazol-4-yl)methylene]-2,2-dimethylpropane-1,3-diamine coordinates to the Fe(II) ion through the N atoms of the 1,2,3-triazole moieties and aldimine groups. Two thiocyanate anions, coordinating through their N atoms, complete the coordination sphere of the central ion. In the crystal, neighbouring molecules are linked through weak C—H⋯π, C—H⋯S and C—H⋯N interactions into a two-dimensional network extending parallel to (011). The intermolecular contacts were quantified using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing the relative contributions of the contacts to the crystal packing to be H⋯H (35.2%), H⋯C/C⋯H (26.4%), H⋯S/S⋯H (19.3%) and H⋯N/N⋯H (13.9%). International Union of Crystallography 2020-09-22 /pmc/articles/PMC7534255/ /pubmed/33117585 http://dx.doi.org/10.1107/S2056989020012608 Text en © Znovjyak et al. 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 Znovjyak, Kateryna Seredyuk, Maksym Malinkin, Sergey O. Shova, Sergiu Soliev, Lutfullo Crystal structure of {N (1),N (3)-bis[(1-benzyl-1H-1,2,3-triazol-4-yl)methylidene]-2,2-dimethylpropane-1,3-diamine}bis(thiocyanato-κN)iron(II) |
title | Crystal structure of {N
(1),N
(3)-bis[(1-benzyl-1H-1,2,3-triazol-4-yl)methylidene]-2,2-dimethylpropane-1,3-diamine}bis(thiocyanato-κN)iron(II) |
title_full | Crystal structure of {N
(1),N
(3)-bis[(1-benzyl-1H-1,2,3-triazol-4-yl)methylidene]-2,2-dimethylpropane-1,3-diamine}bis(thiocyanato-κN)iron(II) |
title_fullStr | Crystal structure of {N
(1),N
(3)-bis[(1-benzyl-1H-1,2,3-triazol-4-yl)methylidene]-2,2-dimethylpropane-1,3-diamine}bis(thiocyanato-κN)iron(II) |
title_full_unstemmed | Crystal structure of {N
(1),N
(3)-bis[(1-benzyl-1H-1,2,3-triazol-4-yl)methylidene]-2,2-dimethylpropane-1,3-diamine}bis(thiocyanato-κN)iron(II) |
title_short | Crystal structure of {N
(1),N
(3)-bis[(1-benzyl-1H-1,2,3-triazol-4-yl)methylidene]-2,2-dimethylpropane-1,3-diamine}bis(thiocyanato-κN)iron(II) |
title_sort | crystal structure of {n
(1),n
(3)-bis[(1-benzyl-1h-1,2,3-triazol-4-yl)methylidene]-2,2-dimethylpropane-1,3-diamine}bis(thiocyanato-κn)iron(ii) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7534255/ https://www.ncbi.nlm.nih.gov/pubmed/33117585 http://dx.doi.org/10.1107/S2056989020012608 |
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