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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...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2023
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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. |
format | Online Article Text |
id | pubmed-10561211 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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