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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...

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Autores principales: Znovjyak, Kateryna, Seredyuk, Maksym, Malinkin, Sergey O., Shova, Sergiu, Soliev, Lutfullo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
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%).
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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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