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Six tris(bipyridyl)iron(II) complexes with 2-substituted 1,1,3,3-tetracyanopropenide, perchlorate and tetrafluoridoborate anions; order versus disorder, hydrogen bonding and C—N⋯π interactions
Structures are reported for six closely related salts of tris(bipyridyl)iron(II) cations, namely tris(2,2′-bipyridine)iron(II) bis(1,1,3,3-tetracyano-2-methoxypropenide) 0.776-hydrate, [Fe(C(10)H(8)N(2))(3)](C(8)H(3)N(4)O)(2).0.776H(2)O, (I), tris(2,2′-bipyridine)iron(II) 1,1,3,3-tetrac...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6281087/ https://www.ncbi.nlm.nih.gov/pubmed/30574362 http://dx.doi.org/10.1107/S2056989018015426 |
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author | Addala, Abderezak Setifi, Zouaoui Morimoto, Yukio Artetxe, Beñat Matsumoto, Takashi Gutiérrez-Zorrilla, Juan M. Glidewell, Christopher |
author_facet | Addala, Abderezak Setifi, Zouaoui Morimoto, Yukio Artetxe, Beñat Matsumoto, Takashi Gutiérrez-Zorrilla, Juan M. Glidewell, Christopher |
author_sort | Addala, Abderezak |
collection | PubMed |
description | Structures are reported for six closely related salts of tris(bipyridyl)iron(II) cations, namely tris(2,2′-bipyridine)iron(II) bis(1,1,3,3-tetracyano-2-methoxypropenide) 0.776-hydrate, [Fe(C(10)H(8)N(2))(3)](C(8)H(3)N(4)O)(2).0.776H(2)O, (I), tris(2,2′-bipyridine)iron(II) 1,1,3,3-tetracyano-2-(propylsulfanyl)propenide perchlorate, [Fe(C(10)H(8)N(2))(3)](C(10)H(7)N(4)S)(ClO(4)), (II), tris(5,5′-dimethyl-2,2′-bipyridine)iron(II) 1,1,3,3-tetracyano-2-methoxypropenide tetrafluoridoborate ethanol 0.926-solvate, [Fe(C(12)H(12)N(2))(3)](C(8)H(3)N(4)O)(BF(4)).0.926C(2)H(2)O, (III), tris(5,5′-dimethyl-2,2′-bipyridine)iron(II) 1,1,3,3-tetracyano-2-ethoxypropenide tetrafluoridoborate, [Fe(C(12)H(12)N(2))(3)](C(9)H(5)N(4)O)(BF(4)), (IV), tris(5,5′-dimethyl-2,2′-bipyridine)iron(II) 1,1,3,3-tetracyano-2-(ethylsufanyl)propenide tetrafluoridoborate, [Fe(C(12)H(12)N(2))(3)](C(9)H(5)N(4)S)(BF(4)), (V), and tris(5,5′-dimethyl-2,2′-bipyridine)iron(II) 1,1,3,3-tetracyano-2-propoxypropenide tetrafluoridoborate, [Fe(C(12)H(12)N(2))(3)](C(10)H(7)N(4)O)(BF(4)), (VI). In compound (I), one of the anions is disordered over two sets of atomic sites with equal occupancies while, in the second anion, just one of the C(CN)(2) units is disordered, again over two sets of atomic sites with equal occupancies: the anionic components are linked by multiple C—H⋯N hydrogen bonds to form a three-dimensional framework. In compound (II), the polynitrile anion is disordered over two sets of atomic sites with occupancies in the approximate ratio 3:1, while the perchlorate anion is disordered over three sets of atomic sites: there are C—N⋯π interactions between the cations and the polynitrile anion. The polynitrile anion in compound (III) is fully ordered, but the tetrafluoridoborate anion is disordered over two sets of atomic sites with occupancies 0.671 (4) and 0.329 (4): the cations and the tetrafluoridoborate anions are linked by C—H⋯F interactions to form an interrupted chain. Compounds (IV) and (V) are isostructural and all of the ionic components are fully ordered in both of them: the cations and tetrafluoridoborate anions are linked into C (2) (2)(12) chains. The polynitrile anion in compound (VI) is disordered over two sets of atomic sites with approximately equal occupancies, and here the chains formed by the cations and the tetrafluoridoborate anions are of the C (2) (2)(13) type. |
format | Online Article Text |
id | pubmed-6281087 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-62810872018-12-20 Six tris(bipyridyl)iron(II) complexes with 2-substituted 1,1,3,3-tetracyanopropenide, perchlorate and tetrafluoridoborate anions; order versus disorder, hydrogen bonding and C—N⋯π interactions Addala, Abderezak Setifi, Zouaoui Morimoto, Yukio Artetxe, Beñat Matsumoto, Takashi Gutiérrez-Zorrilla, Juan M. Glidewell, Christopher Acta Crystallogr E Crystallogr Commun Research Communications Structures are reported for six closely related salts of tris(bipyridyl)iron(II) cations, namely tris(2,2′-bipyridine)iron(II) bis(1,1,3,3-tetracyano-2-methoxypropenide) 0.776-hydrate, [Fe(C(10)H(8)N(2))(3)](C(8)H(3)N(4)O)(2).0.776H(2)O, (I), tris(2,2′-bipyridine)iron(II) 1,1,3,3-tetracyano-2-(propylsulfanyl)propenide perchlorate, [Fe(C(10)H(8)N(2))(3)](C(10)H(7)N(4)S)(ClO(4)), (II), tris(5,5′-dimethyl-2,2′-bipyridine)iron(II) 1,1,3,3-tetracyano-2-methoxypropenide tetrafluoridoborate ethanol 0.926-solvate, [Fe(C(12)H(12)N(2))(3)](C(8)H(3)N(4)O)(BF(4)).0.926C(2)H(2)O, (III), tris(5,5′-dimethyl-2,2′-bipyridine)iron(II) 1,1,3,3-tetracyano-2-ethoxypropenide tetrafluoridoborate, [Fe(C(12)H(12)N(2))(3)](C(9)H(5)N(4)O)(BF(4)), (IV), tris(5,5′-dimethyl-2,2′-bipyridine)iron(II) 1,1,3,3-tetracyano-2-(ethylsufanyl)propenide tetrafluoridoborate, [Fe(C(12)H(12)N(2))(3)](C(9)H(5)N(4)S)(BF(4)), (V), and tris(5,5′-dimethyl-2,2′-bipyridine)iron(II) 1,1,3,3-tetracyano-2-propoxypropenide tetrafluoridoborate, [Fe(C(12)H(12)N(2))(3)](C(10)H(7)N(4)O)(BF(4)), (VI). In compound (I), one of the anions is disordered over two sets of atomic sites with equal occupancies while, in the second anion, just one of the C(CN)(2) units is disordered, again over two sets of atomic sites with equal occupancies: the anionic components are linked by multiple C—H⋯N hydrogen bonds to form a three-dimensional framework. In compound (II), the polynitrile anion is disordered over two sets of atomic sites with occupancies in the approximate ratio 3:1, while the perchlorate anion is disordered over three sets of atomic sites: there are C—N⋯π interactions between the cations and the polynitrile anion. The polynitrile anion in compound (III) is fully ordered, but the tetrafluoridoborate anion is disordered over two sets of atomic sites with occupancies 0.671 (4) and 0.329 (4): the cations and the tetrafluoridoborate anions are linked by C—H⋯F interactions to form an interrupted chain. Compounds (IV) and (V) are isostructural and all of the ionic components are fully ordered in both of them: the cations and tetrafluoridoborate anions are linked into C (2) (2)(12) chains. The polynitrile anion in compound (VI) is disordered over two sets of atomic sites with approximately equal occupancies, and here the chains formed by the cations and the tetrafluoridoborate anions are of the C (2) (2)(13) type. International Union of Crystallography 2018-11-06 /pmc/articles/PMC6281087/ /pubmed/30574362 http://dx.doi.org/10.1107/S2056989018015426 Text en © Addala et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ 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/2.0/uk/ |
spellingShingle | Research Communications Addala, Abderezak Setifi, Zouaoui Morimoto, Yukio Artetxe, Beñat Matsumoto, Takashi Gutiérrez-Zorrilla, Juan M. Glidewell, Christopher Six tris(bipyridyl)iron(II) complexes with 2-substituted 1,1,3,3-tetracyanopropenide, perchlorate and tetrafluoridoborate anions; order versus disorder, hydrogen bonding and C—N⋯π interactions |
title | Six tris(bipyridyl)iron(II) complexes with 2-substituted 1,1,3,3-tetracyanopropenide, perchlorate and tetrafluoridoborate anions; order versus disorder, hydrogen bonding and C—N⋯π interactions |
title_full | Six tris(bipyridyl)iron(II) complexes with 2-substituted 1,1,3,3-tetracyanopropenide, perchlorate and tetrafluoridoborate anions; order versus disorder, hydrogen bonding and C—N⋯π interactions |
title_fullStr | Six tris(bipyridyl)iron(II) complexes with 2-substituted 1,1,3,3-tetracyanopropenide, perchlorate and tetrafluoridoborate anions; order versus disorder, hydrogen bonding and C—N⋯π interactions |
title_full_unstemmed | Six tris(bipyridyl)iron(II) complexes with 2-substituted 1,1,3,3-tetracyanopropenide, perchlorate and tetrafluoridoborate anions; order versus disorder, hydrogen bonding and C—N⋯π interactions |
title_short | Six tris(bipyridyl)iron(II) complexes with 2-substituted 1,1,3,3-tetracyanopropenide, perchlorate and tetrafluoridoborate anions; order versus disorder, hydrogen bonding and C—N⋯π interactions |
title_sort | six tris(bipyridyl)iron(ii) complexes with 2-substituted 1,1,3,3-tetracyanopropenide, perchlorate and tetrafluoridoborate anions; order versus disorder, hydrogen bonding and c—n⋯π interactions |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6281087/ https://www.ncbi.nlm.nih.gov/pubmed/30574362 http://dx.doi.org/10.1107/S2056989018015426 |
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