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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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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. |
format | Online Article Text |
id | pubmed-3238739 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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