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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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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. |
format | Online Article Text |
id | pubmed-7405558 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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