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Tris(acetonitrile-κN){2,6-bis­[(diphenyl­phosphan­yl)amino]-4-eth­oxy-1,3,5-triazine-κ(3) P,N (1),P′}iron(II) bis­(tetra­fluorido­borate) acetonitrile disolvate

In the title compound, [Fe(CH(3)CN)(3)(C(29)H(27)N(5)OP(2))](BF(4))(2)·2CH(3)CN, the Fe(II) ion is octa­hedrally coordinated by a meridionally chelating tridentate pincer-type PNP ligand derived from 2,6-diamino-4-eth­oxy-1,3,5-triazine and by three acetonitrile mol­ecules. The four Fe—N bond length...

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Detalles Bibliográficos
Autores principales: Koley, Moumita, Kirchner, Karl, Mereiter, Kurt
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3238739/
https://www.ncbi.nlm.nih.gov/pubmed/22199616
http://dx.doi.org/10.1107/S1600536811049804
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author Koley, Moumita
Kirchner, Karl
Mereiter, Kurt
author_facet Koley, Moumita
Kirchner, Karl
Mereiter, Kurt
author_sort Koley, Moumita
collection PubMed
description In the title compound, [Fe(CH(3)CN)(3)(C(29)H(27)N(5)OP(2))](BF(4))(2)·2CH(3)CN, the Fe(II) ion is octa­hedrally coordinated by a meridionally chelating tridentate pincer-type PNP ligand derived from 2,6-diamino-4-eth­oxy-1,3,5-triazine and by three acetonitrile mol­ecules. The four Fe—N bond lengths range from 1.9142 (12) to 1.9579 (11) Å, while the Fe—P bonds are 2.2452 (4) and 2.2506 (4) Å [P—Fe—P = 165.523 (14)°], consistent with Fe(II) in a low-spin state. Unlike related Fe PNP complexes based on 2,6-diamino­pyridine, the BF(4) anions are not hydrogen bonded to the two NH groups of the pincer ligand but show instead anion–π inter­actions with the triazine ring and acetonitrile mol­ecules in addition to ten C—H⋯F inter­actions. Most remarkable among these is an anion–π(triazine) inter­action with a short distance of 2.788 (2) Å between one F and the centroid of the π-acidic triazine ring. The corresponding shortest distance between this F atom and a triazine carbon atom is 2.750 (2) Å. The two NH groups of the pincer ligand donate N—H⋯N hydrogen bonds to the triazine N atom of a neighbouring complex and to an uncoordinated acetonitrile mol­ecule. This last mol­ecule is in a side-on head-to-tail association with the second uncoordinated acetonitrile at C⋯N distances of 3.467 (2) and 3.569 (2) Å. In contrast to several related compounds with diamino­pyridine- instead of diamino­triazine-based PNP ligands, the title crystal structure is remarkably well ordered. This suggests that the diamino­triazine moiety exerts notable crystal structure stabilizing effects.
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spelling pubmed-32387392011-12-23 Tris(acetonitrile-κN){2,6-bis­[(diphenyl­phosphan­yl)amino]-4-eth­oxy-1,3,5-triazine-κ(3) P,N (1),P′}iron(II) bis­(tetra­fluorido­borate) acetonitrile disolvate Koley, Moumita Kirchner, Karl Mereiter, Kurt Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title compound, [Fe(CH(3)CN)(3)(C(29)H(27)N(5)OP(2))](BF(4))(2)·2CH(3)CN, the Fe(II) ion is octa­hedrally coordinated by a meridionally chelating tridentate pincer-type PNP ligand derived from 2,6-diamino-4-eth­oxy-1,3,5-triazine and by three acetonitrile mol­ecules. The four Fe—N bond lengths range from 1.9142 (12) to 1.9579 (11) Å, while the Fe—P bonds are 2.2452 (4) and 2.2506 (4) Å [P—Fe—P = 165.523 (14)°], consistent with Fe(II) in a low-spin state. Unlike related Fe PNP complexes based on 2,6-diamino­pyridine, the BF(4) anions are not hydrogen bonded to the two NH groups of the pincer ligand but show instead anion–π inter­actions with the triazine ring and acetonitrile mol­ecules in addition to ten C—H⋯F inter­actions. Most remarkable among these is an anion–π(triazine) inter­action with a short distance of 2.788 (2) Å between one F and the centroid of the π-acidic triazine ring. The corresponding shortest distance between this F atom and a triazine carbon atom is 2.750 (2) Å. The two NH groups of the pincer ligand donate N—H⋯N hydrogen bonds to the triazine N atom of a neighbouring complex and to an uncoordinated acetonitrile mol­ecule. This last mol­ecule is in a side-on head-to-tail association with the second uncoordinated acetonitrile at C⋯N distances of 3.467 (2) and 3.569 (2) Å. In contrast to several related compounds with diamino­pyridine- instead of diamino­triazine-based PNP ligands, the title crystal structure is remarkably well ordered. This suggests that the diamino­triazine moiety exerts notable crystal structure stabilizing effects. International Union of Crystallography 2011-11-25 /pmc/articles/PMC3238739/ /pubmed/22199616 http://dx.doi.org/10.1107/S1600536811049804 Text en © Koley et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Metal-Organic Papers
Koley, Moumita
Kirchner, Karl
Mereiter, Kurt
Tris(acetonitrile-κN){2,6-bis­[(diphenyl­phosphan­yl)amino]-4-eth­oxy-1,3,5-triazine-κ(3) P,N (1),P′}iron(II) bis­(tetra­fluorido­borate) acetonitrile disolvate
title Tris(acetonitrile-κN){2,6-bis­[(diphenyl­phosphan­yl)amino]-4-eth­oxy-1,3,5-triazine-κ(3) P,N (1),P′}iron(II) bis­(tetra­fluorido­borate) acetonitrile disolvate
title_full Tris(acetonitrile-κN){2,6-bis­[(diphenyl­phosphan­yl)amino]-4-eth­oxy-1,3,5-triazine-κ(3) P,N (1),P′}iron(II) bis­(tetra­fluorido­borate) acetonitrile disolvate
title_fullStr Tris(acetonitrile-κN){2,6-bis­[(diphenyl­phosphan­yl)amino]-4-eth­oxy-1,3,5-triazine-κ(3) P,N (1),P′}iron(II) bis­(tetra­fluorido­borate) acetonitrile disolvate
title_full_unstemmed Tris(acetonitrile-κN){2,6-bis­[(diphenyl­phosphan­yl)amino]-4-eth­oxy-1,3,5-triazine-κ(3) P,N (1),P′}iron(II) bis­(tetra­fluorido­borate) acetonitrile disolvate
title_short Tris(acetonitrile-κN){2,6-bis­[(diphenyl­phosphan­yl)amino]-4-eth­oxy-1,3,5-triazine-κ(3) P,N (1),P′}iron(II) bis­(tetra­fluorido­borate) acetonitrile disolvate
title_sort tris(acetonitrile-κn){2,6-bis­[(diphenyl­phosphan­yl)amino]-4-eth­oxy-1,3,5-triazine-κ(3) p,n (1),p′}iron(ii) bis­(tetra­fluorido­borate) acetonitrile disolvate
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3238739/
https://www.ncbi.nlm.nih.gov/pubmed/22199616
http://dx.doi.org/10.1107/S1600536811049804
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