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Synthesis, crystal structure and properties of catena-poly[[[bis­(3-methyl­pyridine-κN)nickel(II)]-di-μ-1,3-thio­cyanato] aceto­nitrile monosolvate]

In the crystal structure of the title compound, {[Ni(NCS)(2)(C(6)H(7)N)(2)]·CH(3)CN}( n ), the Ni(II) cation is octa­hedrally coordinated by two N-bonding and two S-bonding thio­cyanate anions, as well as two 3-methyl­pyridine coligands, with the thio­cyanate S atoms and the 3-methyl­pyridine N atom...

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Detalles Bibliográficos
Autores principales: Näther, Christian, Jess, Inke, Krebs, Christoph
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9638983/
https://www.ncbi.nlm.nih.gov/pubmed/36380903
http://dx.doi.org/10.1107/S2056989022009598
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author Näther, Christian
Jess, Inke
Krebs, Christoph
author_facet Näther, Christian
Jess, Inke
Krebs, Christoph
author_sort Näther, Christian
collection PubMed
description In the crystal structure of the title compound, {[Ni(NCS)(2)(C(6)H(7)N)(2)]·CH(3)CN}( n ), the Ni(II) cation is octa­hedrally coordinated by two N-bonding and two S-bonding thio­cyanate anions, as well as two 3-methyl­pyridine coligands, with the thio­cyanate S atoms and the 3-methyl­pyridine N atoms in cis-positions. The metal cations are linked by pairs of thio­cyanate anions into chains that, because of the cis–cis–trans coordination, are corrugated. These chains are arranged in such a way that channels are formed in which disordered aceto­nitrile solvate mol­ecules are located. This overall structural motif is very similar to that observed in Ni(NCS)(2)[4-(boc-amino)­pyridine](2)·CH(3)CN reported in the literature. At room temperature, the title compound loses its solvent mol­ecules within a few hours, leading to a crystalline phase that is structurally related to that of the pristine material. If the ansolvate is stored in an aceto­nitrile atmosphere, the solvate is formed again. Single-crystal X-ray analysis at room-temperature proves that the crystals decompose immediately, presumably because of the loss of solvent mol­ecules, and from the reciprocal space plots it is obvious that this reaction, in contrast to that in Ni(NCS)(2)[4-(boc-amino)­pyridine](2)·CH(3)CN, does not proceed via a topotactic reaction.
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spelling pubmed-96389832022-11-14 Synthesis, crystal structure and properties of catena-poly[[[bis­(3-methyl­pyridine-κN)nickel(II)]-di-μ-1,3-thio­cyanato] aceto­nitrile monosolvate] Näther, Christian Jess, Inke Krebs, Christoph Acta Crystallogr E Crystallogr Commun Research Communications In the crystal structure of the title compound, {[Ni(NCS)(2)(C(6)H(7)N)(2)]·CH(3)CN}( n ), the Ni(II) cation is octa­hedrally coordinated by two N-bonding and two S-bonding thio­cyanate anions, as well as two 3-methyl­pyridine coligands, with the thio­cyanate S atoms and the 3-methyl­pyridine N atoms in cis-positions. The metal cations are linked by pairs of thio­cyanate anions into chains that, because of the cis–cis–trans coordination, are corrugated. These chains are arranged in such a way that channels are formed in which disordered aceto­nitrile solvate mol­ecules are located. This overall structural motif is very similar to that observed in Ni(NCS)(2)[4-(boc-amino)­pyridine](2)·CH(3)CN reported in the literature. At room temperature, the title compound loses its solvent mol­ecules within a few hours, leading to a crystalline phase that is structurally related to that of the pristine material. If the ansolvate is stored in an aceto­nitrile atmosphere, the solvate is formed again. Single-crystal X-ray analysis at room-temperature proves that the crystals decompose immediately, presumably because of the loss of solvent mol­ecules, and from the reciprocal space plots it is obvious that this reaction, in contrast to that in Ni(NCS)(2)[4-(boc-amino)­pyridine](2)·CH(3)CN, does not proceed via a topotactic reaction. International Union of Crystallography 2022-10-06 /pmc/articles/PMC9638983/ /pubmed/36380903 http://dx.doi.org/10.1107/S2056989022009598 Text en © Näther et al. 2022 https://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.
spellingShingle Research Communications
Näther, Christian
Jess, Inke
Krebs, Christoph
Synthesis, crystal structure and properties of catena-poly[[[bis­(3-methyl­pyridine-κN)nickel(II)]-di-μ-1,3-thio­cyanato] aceto­nitrile monosolvate]
title Synthesis, crystal structure and properties of catena-poly[[[bis­(3-methyl­pyridine-κN)nickel(II)]-di-μ-1,3-thio­cyanato] aceto­nitrile monosolvate]
title_full Synthesis, crystal structure and properties of catena-poly[[[bis­(3-methyl­pyridine-κN)nickel(II)]-di-μ-1,3-thio­cyanato] aceto­nitrile monosolvate]
title_fullStr Synthesis, crystal structure and properties of catena-poly[[[bis­(3-methyl­pyridine-κN)nickel(II)]-di-μ-1,3-thio­cyanato] aceto­nitrile monosolvate]
title_full_unstemmed Synthesis, crystal structure and properties of catena-poly[[[bis­(3-methyl­pyridine-κN)nickel(II)]-di-μ-1,3-thio­cyanato] aceto­nitrile monosolvate]
title_short Synthesis, crystal structure and properties of catena-poly[[[bis­(3-methyl­pyridine-κN)nickel(II)]-di-μ-1,3-thio­cyanato] aceto­nitrile monosolvate]
title_sort synthesis, crystal structure and properties of catena-poly[[[bis­(3-methyl­pyridine-κn)nickel(ii)]-di-μ-1,3-thio­cyanato] aceto­nitrile monosolvate]
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9638983/
https://www.ncbi.nlm.nih.gov/pubmed/36380903
http://dx.doi.org/10.1107/S2056989022009598
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