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Crystal structure of pyridinium tetraisothiocyanatodipyridinechromium(III) pyridine monosolvate
In the crystal structure of the title compound, (C(5)H(6)N)[Cr(NCS)(4)(C(5)H(5)N)(2)]·C(5)H(5)N, the Cr(III) ions are octahedrally coordinated by four N-bonding thiocyanate anions and two pyridine ligands into discrete negatively charged complexes, with the Cr(III) ion, as well as the two pyridine...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6895946/ https://www.ncbi.nlm.nih.gov/pubmed/31871749 http://dx.doi.org/10.1107/S2056989019014488 |
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author | Neumann, Tristan Jess, Inke Näther, Christian |
author_facet | Neumann, Tristan Jess, Inke Näther, Christian |
author_sort | Neumann, Tristan |
collection | PubMed |
description | In the crystal structure of the title compound, (C(5)H(6)N)[Cr(NCS)(4)(C(5)H(5)N)(2)]·C(5)H(5)N, the Cr(III) ions are octahedrally coordinated by four N-bonding thiocyanate anions and two pyridine ligands into discrete negatively charged complexes, with the Cr(III) ion, as well as the two pyridine ligands, located on crystallographic mirror planes. The mean planes of the two pyridine ligands are rotated with respect to each other by 90°. Charge balance is achieved by one protonated pyridine molecule that is hydrogen bonded to one additional pyridine solvent molecule, with both located on crystallographic mirror planes and again rotated by exactly 90°. The pyridinium H atom was refined as disordered between both pyridine N atoms in a 70:30 ratio, leading to a linear N—H⋯N hydrogen bond. In the crystal, discrete complexes are linked by weak C—H⋯S hydrogen bonds into chains that are connected by additional C—H⋯S hydrogen bonding via the pyridinium cations and solvent molecules into layers and finally into a three-dimensional network. |
format | Online Article Text |
id | pubmed-6895946 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-68959462019-12-23 Crystal structure of pyridinium tetraisothiocyanatodipyridinechromium(III) pyridine monosolvate Neumann, Tristan Jess, Inke Näther, Christian Acta Crystallogr E Crystallogr Commun Research Communications In the crystal structure of the title compound, (C(5)H(6)N)[Cr(NCS)(4)(C(5)H(5)N)(2)]·C(5)H(5)N, the Cr(III) ions are octahedrally coordinated by four N-bonding thiocyanate anions and two pyridine ligands into discrete negatively charged complexes, with the Cr(III) ion, as well as the two pyridine ligands, located on crystallographic mirror planes. The mean planes of the two pyridine ligands are rotated with respect to each other by 90°. Charge balance is achieved by one protonated pyridine molecule that is hydrogen bonded to one additional pyridine solvent molecule, with both located on crystallographic mirror planes and again rotated by exactly 90°. The pyridinium H atom was refined as disordered between both pyridine N atoms in a 70:30 ratio, leading to a linear N—H⋯N hydrogen bond. In the crystal, discrete complexes are linked by weak C—H⋯S hydrogen bonds into chains that are connected by additional C—H⋯S hydrogen bonding via the pyridinium cations and solvent molecules into layers and finally into a three-dimensional network. International Union of Crystallography 2019-11-15 /pmc/articles/PMC6895946/ /pubmed/31871749 http://dx.doi.org/10.1107/S2056989019014488 Text en © Neumann et al. 2019 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 Neumann, Tristan Jess, Inke Näther, Christian Crystal structure of pyridinium tetraisothiocyanatodipyridinechromium(III) pyridine monosolvate |
title | Crystal structure of pyridinium tetraisothiocyanatodipyridinechromium(III) pyridine monosolvate |
title_full | Crystal structure of pyridinium tetraisothiocyanatodipyridinechromium(III) pyridine monosolvate |
title_fullStr | Crystal structure of pyridinium tetraisothiocyanatodipyridinechromium(III) pyridine monosolvate |
title_full_unstemmed | Crystal structure of pyridinium tetraisothiocyanatodipyridinechromium(III) pyridine monosolvate |
title_short | Crystal structure of pyridinium tetraisothiocyanatodipyridinechromium(III) pyridine monosolvate |
title_sort | crystal structure of pyridinium tetraisothiocyanatodipyridinechromium(iii) pyridine monosolvate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6895946/ https://www.ncbi.nlm.nih.gov/pubmed/31871749 http://dx.doi.org/10.1107/S2056989019014488 |
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