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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...

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Autores principales: Neumann, Tristan, Jess, Inke, Näther, Christian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
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.
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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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