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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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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. |
format | Online Article Text |
id | pubmed-4778826 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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