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Crystal structure of bis­{(3,5-di­methyl­pyrazol-1-yl)di­hydro­[3-(pyridin-2-yl)pyrazol-1-yl]­borato}iron(II)

The structure determination of [Fe(C(13)H(15)BN(5))(2)] was undertaken as part of a project on the modification of the recently published spin-crossover (SCO) complex [Fe{H(2)B(pz)(pypz)}(2)] (pz = pyrazole, pypz = pyridyl­pyrazole). To this end, a new ligand was synthesized in which two additional...

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Detalles Bibliográficos
Autores principales: Ossinger, Sascha, Näther, Christian, Tuczek, Felix
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7405558/
https://www.ncbi.nlm.nih.gov/pubmed/32844011
http://dx.doi.org/10.1107/S2056989020009214
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author Ossinger, Sascha
Näther, Christian
Tuczek, Felix
author_facet Ossinger, Sascha
Näther, Christian
Tuczek, Felix
author_sort Ossinger, Sascha
collection PubMed
description The structure determination of [Fe(C(13)H(15)BN(5))(2)] was undertaken as part of a project on the modification of the recently published spin-crossover (SCO) complex [Fe{H(2)B(pz)(pypz)}(2)] (pz = pyrazole, pypz = pyridyl­pyrazole). To this end, a new ligand was synthesized in which two additional methyl groups are present. Its reaction with iron tri­fluoro­methane­sulfonate led to a pure sample of the title compound, as proven by X-ray powder diffraction. The asymmetric unit consists of one complex mol­ecule in a general position. The Fe(II) atom is coordinated by two tridentate N-binding {H(2)B(3,5-(CH(3))(2)-pz)(pypz)}(−) ligands. The Fe—N bond lengths range between 2.1222 (13) and 2.3255 (15) Å, compatible with Fe(II) in the high-spin state, which was also confirmed by magnetic measurements. Other than a very weak C—H⋯N non-classical hydrogen bond linking individual mol­ecules into rows extending parallel to [010], there are no remarkable inter­molecular inter­actions.
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spelling pubmed-74055582020-08-24 Crystal structure of bis­{(3,5-di­methyl­pyrazol-1-yl)di­hydro­[3-(pyridin-2-yl)pyrazol-1-yl]­borato}iron(II) Ossinger, Sascha Näther, Christian Tuczek, Felix Acta Crystallogr E Crystallogr Commun Research Communications The structure determination of [Fe(C(13)H(15)BN(5))(2)] was undertaken as part of a project on the modification of the recently published spin-crossover (SCO) complex [Fe{H(2)B(pz)(pypz)}(2)] (pz = pyrazole, pypz = pyridyl­pyrazole). To this end, a new ligand was synthesized in which two additional methyl groups are present. Its reaction with iron tri­fluoro­methane­sulfonate led to a pure sample of the title compound, as proven by X-ray powder diffraction. The asymmetric unit consists of one complex mol­ecule in a general position. The Fe(II) atom is coordinated by two tridentate N-binding {H(2)B(3,5-(CH(3))(2)-pz)(pypz)}(−) ligands. The Fe—N bond lengths range between 2.1222 (13) and 2.3255 (15) Å, compatible with Fe(II) in the high-spin state, which was also confirmed by magnetic measurements. Other than a very weak C—H⋯N non-classical hydrogen bond linking individual mol­ecules into rows extending parallel to [010], there are no remarkable inter­molecular inter­actions. International Union of Crystallography 2020-07-10 /pmc/articles/PMC7405558/ /pubmed/32844011 http://dx.doi.org/10.1107/S2056989020009214 Text en © Ossinger et al. 2020 http://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.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Ossinger, Sascha
Näther, Christian
Tuczek, Felix
Crystal structure of bis­{(3,5-di­methyl­pyrazol-1-yl)di­hydro­[3-(pyridin-2-yl)pyrazol-1-yl]­borato}iron(II)
title Crystal structure of bis­{(3,5-di­methyl­pyrazol-1-yl)di­hydro­[3-(pyridin-2-yl)pyrazol-1-yl]­borato}iron(II)
title_full Crystal structure of bis­{(3,5-di­methyl­pyrazol-1-yl)di­hydro­[3-(pyridin-2-yl)pyrazol-1-yl]­borato}iron(II)
title_fullStr Crystal structure of bis­{(3,5-di­methyl­pyrazol-1-yl)di­hydro­[3-(pyridin-2-yl)pyrazol-1-yl]­borato}iron(II)
title_full_unstemmed Crystal structure of bis­{(3,5-di­methyl­pyrazol-1-yl)di­hydro­[3-(pyridin-2-yl)pyrazol-1-yl]­borato}iron(II)
title_short Crystal structure of bis­{(3,5-di­methyl­pyrazol-1-yl)di­hydro­[3-(pyridin-2-yl)pyrazol-1-yl]­borato}iron(II)
title_sort crystal structure of bis­{(3,5-di­methyl­pyrazol-1-yl)di­hydro­[3-(pyridin-2-yl)pyrazol-1-yl]­borato}iron(ii)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7405558/
https://www.ncbi.nlm.nih.gov/pubmed/32844011
http://dx.doi.org/10.1107/S2056989020009214
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