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Racemic cis-bis­[bis­(pyrimidin-2-yl)amine-κN]bis(dicyanamido-κN (1))iron(II) dihydrate: synthesis, crystal structure and Hirshfeld surface analysis

The title compound, [Fe(C(2)N(3))(2)(C(8)H(7)N(5))(2)]·2H(2)O, has been synthesized solvothermally and characterized by single-crystal X-ray diffraction. The octa­hedral iron coordination polyhedron contains two di(pyrimidin-2-yl)amine ligands coordinated in a bidentate fashion, and two monodentate...

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Autores principales: Saadallah, Yaakoub, Setifi, Zouaoui, Jelsch, Christian, Setifi, Fatima, Al-Douh, Mohammed Hadi, Satour, Achouak, Glidewell, Christopher
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10561211/
https://www.ncbi.nlm.nih.gov/pubmed/37817951
http://dx.doi.org/10.1107/S2056989023008186
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author Saadallah, Yaakoub
Setifi, Zouaoui
Jelsch, Christian
Setifi, Fatima
Al-Douh, Mohammed Hadi
Satour, Achouak
Glidewell, Christopher
author_facet Saadallah, Yaakoub
Setifi, Zouaoui
Jelsch, Christian
Setifi, Fatima
Al-Douh, Mohammed Hadi
Satour, Achouak
Glidewell, Christopher
author_sort Saadallah, Yaakoub
collection PubMed
description The title compound, [Fe(C(2)N(3))(2)(C(8)H(7)N(5))(2)]·2H(2)O, has been synthesized solvothermally and characterized by single-crystal X-ray diffraction. The octa­hedral iron coordination polyhedron contains two di(pyrimidin-2-yl)amine ligands coordinated in a bidentate fashion, and two monodentate dicyanimido ligands, each coordinated via a terminal N atom, with the latter in a cis orientation. The ligand configuration about the iron atom is chiral, although the compound crystallizes as a racemic mixture: the Fe—N distances (> 2.07 Å) are characteristic of high-spin iron(II). In the crystal, an extensive series of N—H⋯N, O—H⋯N and O—H⋯O hydrogen bonds links the independent mol­ecular components into a three-dimensional framework. The H atoms of both water mol­ecules are disordered. The structure also features some π–π and anion–π inter­actions. The inter­molecular inter­actions were investigated by Hirshfeld surface analysis and two-dimensional fingerprint plots. Comparisons are made with some related compounds.
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spelling pubmed-105612112023-10-10 Racemic cis-bis­[bis­(pyrimidin-2-yl)amine-κN]bis(dicyanamido-κN (1))iron(II) dihydrate: synthesis, crystal structure and Hirshfeld surface analysis Saadallah, Yaakoub Setifi, Zouaoui Jelsch, Christian Setifi, Fatima Al-Douh, Mohammed Hadi Satour, Achouak Glidewell, Christopher Acta Crystallogr E Crystallogr Commun Research Communications The title compound, [Fe(C(2)N(3))(2)(C(8)H(7)N(5))(2)]·2H(2)O, has been synthesized solvothermally and characterized by single-crystal X-ray diffraction. The octa­hedral iron coordination polyhedron contains two di(pyrimidin-2-yl)amine ligands coordinated in a bidentate fashion, and two monodentate dicyanimido ligands, each coordinated via a terminal N atom, with the latter in a cis orientation. The ligand configuration about the iron atom is chiral, although the compound crystallizes as a racemic mixture: the Fe—N distances (> 2.07 Å) are characteristic of high-spin iron(II). In the crystal, an extensive series of N—H⋯N, O—H⋯N and O—H⋯O hydrogen bonds links the independent mol­ecular components into a three-dimensional framework. The H atoms of both water mol­ecules are disordered. The structure also features some π–π and anion–π inter­actions. The inter­molecular inter­actions were investigated by Hirshfeld surface analysis and two-dimensional fingerprint plots. Comparisons are made with some related compounds. International Union of Crystallography 2023-09-26 /pmc/articles/PMC10561211/ /pubmed/37817951 http://dx.doi.org/10.1107/S2056989023008186 Text en © Saadallah et al. 2023 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
Saadallah, Yaakoub
Setifi, Zouaoui
Jelsch, Christian
Setifi, Fatima
Al-Douh, Mohammed Hadi
Satour, Achouak
Glidewell, Christopher
Racemic cis-bis­[bis­(pyrimidin-2-yl)amine-κN]bis(dicyanamido-κN (1))iron(II) dihydrate: synthesis, crystal structure and Hirshfeld surface analysis
title Racemic cis-bis­[bis­(pyrimidin-2-yl)amine-κN]bis(dicyanamido-κN (1))iron(II) dihydrate: synthesis, crystal structure and Hirshfeld surface analysis
title_full Racemic cis-bis­[bis­(pyrimidin-2-yl)amine-κN]bis(dicyanamido-κN (1))iron(II) dihydrate: synthesis, crystal structure and Hirshfeld surface analysis
title_fullStr Racemic cis-bis­[bis­(pyrimidin-2-yl)amine-κN]bis(dicyanamido-κN (1))iron(II) dihydrate: synthesis, crystal structure and Hirshfeld surface analysis
title_full_unstemmed Racemic cis-bis­[bis­(pyrimidin-2-yl)amine-κN]bis(dicyanamido-κN (1))iron(II) dihydrate: synthesis, crystal structure and Hirshfeld surface analysis
title_short Racemic cis-bis­[bis­(pyrimidin-2-yl)amine-κN]bis(dicyanamido-κN (1))iron(II) dihydrate: synthesis, crystal structure and Hirshfeld surface analysis
title_sort racemic cis-bis­[bis­(pyrimidin-2-yl)amine-κn]bis(dicyanamido-κn (1))iron(ii) dihydrate: synthesis, crystal structure and hirshfeld surface analysis
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10561211/
https://www.ncbi.nlm.nih.gov/pubmed/37817951
http://dx.doi.org/10.1107/S2056989023008186
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