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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...

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Autores principales: Addala, Abderezak, Setifi, Zouaoui, Morimoto, Yukio, Artetxe, Beñat, Matsumoto, Takashi, Gutiérrez-Zorrilla, Juan M., Glidewell, Christopher
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
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.
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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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