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Crystal structure of catena-poly[[[bis­(pyridine-4-carbo­thio­amide-κN (1))cadmium]-di-μ-thio­cyanato-κ(2) N:S;κ(2) S:N] methanol disolvate]

The asymmetric unit of the polymeric title compound, {[Cd(NCS)(2)(C(6)H(6)N(2)S)]·2CH(3)OH}(n), consists of one cadmium(II) cation that is located on a centre of inversion as well as one thio­cyanate anion, one pyridine-4-carbo­thio­amide ligand and one methanol mol­ecule in general positions. The C...

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Autores principales: Neumann, Tristan, Jess, Inke, Näther, Christian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4778826/
https://www.ncbi.nlm.nih.gov/pubmed/27006810
http://dx.doi.org/10.1107/S2056989016002632
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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 The asymmetric unit of the polymeric title compound, {[Cd(NCS)(2)(C(6)H(6)N(2)S)]·2CH(3)OH}(n), consists of one cadmium(II) cation that is located on a centre of inversion as well as one thio­cyanate anion, one pyridine-4-carbo­thio­amide ligand and one methanol mol­ecule in general positions. The Cd(II) cations are octa­hedrally coordinated by the pyridine N atom of two pyridine-4-carbo­thio­amide ligands and by the S and N atoms of four thio­cyanate anions and are linked into chains along [010] by pairs of anionic ligands. These chains are further linked into layers extending along (201) by inter­molecular N—H⋯O and O—H⋯S hydrogen bonds. One of the amino H atoms of the pyridine-4-carbo­thio­amide ligand is hydrogen-bonded to the O atom of a methanol mol­ecule, and a symmetry-related methanol mol­ecule is the donor group to the S atom of another pyridine-4-carbo­thio­amide ligand whereby each of the pyridine-4-carbo­thio­amide ligands forms two pairs of centrosymmetric N—H⋯S and O—H⋯S hydrogen bonds. The methanol mol­ecules are equally disordered over two orientations.
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spelling pubmed-47788262016-03-22 Crystal structure of catena-poly[[[bis­(pyridine-4-carbo­thio­amide-κN (1))cadmium]-di-μ-thio­cyanato-κ(2) N:S;κ(2) S:N] methanol disolvate] Neumann, Tristan Jess, Inke Näther, Christian Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the polymeric title compound, {[Cd(NCS)(2)(C(6)H(6)N(2)S)]·2CH(3)OH}(n), consists of one cadmium(II) cation that is located on a centre of inversion as well as one thio­cyanate anion, one pyridine-4-carbo­thio­amide ligand and one methanol mol­ecule in general positions. The Cd(II) cations are octa­hedrally coordinated by the pyridine N atom of two pyridine-4-carbo­thio­amide ligands and by the S and N atoms of four thio­cyanate anions and are linked into chains along [010] by pairs of anionic ligands. These chains are further linked into layers extending along (201) by inter­molecular N—H⋯O and O—H⋯S hydrogen bonds. One of the amino H atoms of the pyridine-4-carbo­thio­amide ligand is hydrogen-bonded to the O atom of a methanol mol­ecule, and a symmetry-related methanol mol­ecule is the donor group to the S atom of another pyridine-4-carbo­thio­amide ligand whereby each of the pyridine-4-carbo­thio­amide ligands forms two pairs of centrosymmetric N—H⋯S and O—H⋯S hydrogen bonds. The methanol mol­ecules are equally disordered over two orientations. International Union of Crystallography 2016-02-20 /pmc/articles/PMC4778826/ /pubmed/27006810 http://dx.doi.org/10.1107/S2056989016002632 Text en © Neumann et al. 2016 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Neumann, Tristan
Jess, Inke
Näther, Christian
Crystal structure of catena-poly[[[bis­(pyridine-4-carbo­thio­amide-κN (1))cadmium]-di-μ-thio­cyanato-κ(2) N:S;κ(2) S:N] methanol disolvate]
title Crystal structure of catena-poly[[[bis­(pyridine-4-carbo­thio­amide-κN (1))cadmium]-di-μ-thio­cyanato-κ(2) N:S;κ(2) S:N] methanol disolvate]
title_full Crystal structure of catena-poly[[[bis­(pyridine-4-carbo­thio­amide-κN (1))cadmium]-di-μ-thio­cyanato-κ(2) N:S;κ(2) S:N] methanol disolvate]
title_fullStr Crystal structure of catena-poly[[[bis­(pyridine-4-carbo­thio­amide-κN (1))cadmium]-di-μ-thio­cyanato-κ(2) N:S;κ(2) S:N] methanol disolvate]
title_full_unstemmed Crystal structure of catena-poly[[[bis­(pyridine-4-carbo­thio­amide-κN (1))cadmium]-di-μ-thio­cyanato-κ(2) N:S;κ(2) S:N] methanol disolvate]
title_short Crystal structure of catena-poly[[[bis­(pyridine-4-carbo­thio­amide-κN (1))cadmium]-di-μ-thio­cyanato-κ(2) N:S;κ(2) S:N] methanol disolvate]
title_sort crystal structure of catena-poly[[[bis­(pyridine-4-carbo­thio­amide-κn (1))cadmium]-di-μ-thio­cyanato-κ(2) n:s;κ(2) s:n] methanol disolvate]
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4778826/
https://www.ncbi.nlm.nih.gov/pubmed/27006810
http://dx.doi.org/10.1107/S2056989016002632
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