Cargando…
Crystal structure of (N (1),N (3)-bis{[1-(4-methoxybenzyl)-1H-1,2,3-triazol-4-yl]methylidene}-2,2-dimethylpropane-1,3-diamine)bis(thiocyanato)iron(II)
The unit cell of the title compound, [Fe(II)(NCS)(2)(C(29)H(32)N(8)O(2))], consists of eight charge-neutral complex molecules. In the complex molecule, the tetradentate ligand N (1),N (3)-bis{[1-(4-methoxybenzyl)-1H-1,2,3-triazol-4-yl]methylene}-2,2-dimethylpropane-1,3-diamine coordinates...
Autores principales: | , , , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2021
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8100278/ https://www.ncbi.nlm.nih.gov/pubmed/34026252 http://dx.doi.org/10.1107/S2056989021003662 |
_version_ | 1783688751080275968 |
---|---|
author | Znovjyak, Kateryna Seredyuk, Maksym Malinkin, Sergey O. Golenya, Iryna A. Sliva, Tatiana Y. Shova, Sergiu Mulloev, Nurullo U. |
author_facet | Znovjyak, Kateryna Seredyuk, Maksym Malinkin, Sergey O. Golenya, Iryna A. Sliva, Tatiana Y. Shova, Sergiu Mulloev, Nurullo U. |
author_sort | Znovjyak, Kateryna |
collection | PubMed |
description | The unit cell of the title compound, [Fe(II)(NCS)(2)(C(29)H(32)N(8)O(2))], consists of eight charge-neutral complex molecules. In the complex molecule, the tetradentate ligand N (1),N (3)-bis{[1-(4-methoxybenzyl)-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 and aldimine groups. Two thiocyanate anions, coordinated through their N atoms, complete the coordination sphere of the central Fe ion. In the crystal, neighbouring molecules are linked through weak C⋯C, C⋯N and C⋯S interactions into a one-dimensional chain running parallel to [010]. 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 (37.5%), H⋯C/C⋯H (24.7%), H⋯S/S⋯H (15.7%) and H⋯N/N⋯H (11.7%). The average Fe—N bond distance is 2.167 Å, indicating the high-spin state of the Fe(II) ion, which does not change upon cooling, as demonstrated by low-temperature magnetic susceptibility measurements. |
format | Online Article Text |
id | pubmed-8100278 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-81002782021-05-21 Crystal structure of (N (1),N (3)-bis{[1-(4-methoxybenzyl)-1H-1,2,3-triazol-4-yl]methylidene}-2,2-dimethylpropane-1,3-diamine)bis(thiocyanato)iron(II) Znovjyak, Kateryna Seredyuk, Maksym Malinkin, Sergey O. Golenya, Iryna A. Sliva, Tatiana Y. Shova, Sergiu Mulloev, Nurullo U. Acta Crystallogr E Crystallogr Commun Research Communications The unit cell of the title compound, [Fe(II)(NCS)(2)(C(29)H(32)N(8)O(2))], consists of eight charge-neutral complex molecules. In the complex molecule, the tetradentate ligand N (1),N (3)-bis{[1-(4-methoxybenzyl)-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 and aldimine groups. Two thiocyanate anions, coordinated through their N atoms, complete the coordination sphere of the central Fe ion. In the crystal, neighbouring molecules are linked through weak C⋯C, C⋯N and C⋯S interactions into a one-dimensional chain running parallel to [010]. 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 (37.5%), H⋯C/C⋯H (24.7%), H⋯S/S⋯H (15.7%) and H⋯N/N⋯H (11.7%). The average Fe—N bond distance is 2.167 Å, indicating the high-spin state of the Fe(II) ion, which does not change upon cooling, as demonstrated by low-temperature magnetic susceptibility measurements. International Union of Crystallography 2021-04-09 /pmc/articles/PMC8100278/ /pubmed/34026252 http://dx.doi.org/10.1107/S2056989021003662 Text en © Znovjyak et al. 2021 https://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. |
spellingShingle | Research Communications Znovjyak, Kateryna Seredyuk, Maksym Malinkin, Sergey O. Golenya, Iryna A. Sliva, Tatiana Y. Shova, Sergiu Mulloev, Nurullo U. Crystal structure of (N (1),N (3)-bis{[1-(4-methoxybenzyl)-1H-1,2,3-triazol-4-yl]methylidene}-2,2-dimethylpropane-1,3-diamine)bis(thiocyanato)iron(II) |
title | Crystal structure of (N
(1),N
(3)-bis{[1-(4-methoxybenzyl)-1H-1,2,3-triazol-4-yl]methylidene}-2,2-dimethylpropane-1,3-diamine)bis(thiocyanato)iron(II) |
title_full | Crystal structure of (N
(1),N
(3)-bis{[1-(4-methoxybenzyl)-1H-1,2,3-triazol-4-yl]methylidene}-2,2-dimethylpropane-1,3-diamine)bis(thiocyanato)iron(II) |
title_fullStr | Crystal structure of (N
(1),N
(3)-bis{[1-(4-methoxybenzyl)-1H-1,2,3-triazol-4-yl]methylidene}-2,2-dimethylpropane-1,3-diamine)bis(thiocyanato)iron(II) |
title_full_unstemmed | Crystal structure of (N
(1),N
(3)-bis{[1-(4-methoxybenzyl)-1H-1,2,3-triazol-4-yl]methylidene}-2,2-dimethylpropane-1,3-diamine)bis(thiocyanato)iron(II) |
title_short | Crystal structure of (N
(1),N
(3)-bis{[1-(4-methoxybenzyl)-1H-1,2,3-triazol-4-yl]methylidene}-2,2-dimethylpropane-1,3-diamine)bis(thiocyanato)iron(II) |
title_sort | crystal structure of (n
(1),n
(3)-bis{[1-(4-methoxybenzyl)-1h-1,2,3-triazol-4-yl]methylidene}-2,2-dimethylpropane-1,3-diamine)bis(thiocyanato)iron(ii) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8100278/ https://www.ncbi.nlm.nih.gov/pubmed/34026252 http://dx.doi.org/10.1107/S2056989021003662 |
work_keys_str_mv | AT znovjyakkateryna crystalstructureofn1n3bis14methoxybenzyl1h123triazol4ylmethylidene22dimethylpropane13diaminebisthiocyanatoironii AT seredyukmaksym crystalstructureofn1n3bis14methoxybenzyl1h123triazol4ylmethylidene22dimethylpropane13diaminebisthiocyanatoironii AT malinkinsergeyo crystalstructureofn1n3bis14methoxybenzyl1h123triazol4ylmethylidene22dimethylpropane13diaminebisthiocyanatoironii AT golenyairynaa crystalstructureofn1n3bis14methoxybenzyl1h123triazol4ylmethylidene22dimethylpropane13diaminebisthiocyanatoironii AT slivatatianay crystalstructureofn1n3bis14methoxybenzyl1h123triazol4ylmethylidene22dimethylpropane13diaminebisthiocyanatoironii AT shovasergiu crystalstructureofn1n3bis14methoxybenzyl1h123triazol4ylmethylidene22dimethylpropane13diaminebisthiocyanatoironii AT mulloevnurullou crystalstructureofn1n3bis14methoxybenzyl1h123triazol4ylmethylidene22dimethylpropane13diaminebisthiocyanatoironii |