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Crystal structure of aquatris(isonicotinamide-κN)bis(thiocyanato-κN)cobalt(II) 2.5-hydrate
The asymmetric unit of the title compound, [Co(NCS)(2)(C(6)H(6)N(2)O)(3)(H(2)O)]·2.5H(2)O, comprises one Co(II) cation, three isonicotinamide ligands, two thiocyanate anions, one aqua ligand and two water solvent molecules in general positions, as well as one water solvent molecule that is locate...
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/PMC5120703/ https://www.ncbi.nlm.nih.gov/pubmed/27920913 http://dx.doi.org/10.1107/S2056989016012470 |
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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 title compound, [Co(NCS)(2)(C(6)H(6)N(2)O)(3)(H(2)O)]·2.5H(2)O, comprises one Co(II) cation, three isonicotinamide ligands, two thiocyanate anions, one aqua ligand and two water solvent molecules in general positions, as well as one water solvent molecule that is located on a twofold rotation axis. The Co(II) cations are octahedrally coordinated by two terminally N-bonded thiocyanate anions, one water molecule and three isonicotinamide ligands, each coordinating via the pyridine N atom. The discrete complexes are linked by intermolecular O—H⋯O, N—H⋯O and N—H⋯S hydrogen bonding into a three-dimensional network that contains cavities in which the solvent water molecules are located. The latter are linked by further O—H⋯O hydrogen bonds to the network. There are additional short contacts present in the crystal, indicative of weak C—H⋯S, C—H⋯O and C—H⋯N interactions. |
format | Online Article Text |
id | pubmed-5120703 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-51207032016-12-05 Crystal structure of aquatris(isonicotinamide-κN)bis(thiocyanato-κN)cobalt(II) 2.5-hydrate Neumann, Tristan Jess, Inke Näther, Christian Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title compound, [Co(NCS)(2)(C(6)H(6)N(2)O)(3)(H(2)O)]·2.5H(2)O, comprises one Co(II) cation, three isonicotinamide ligands, two thiocyanate anions, one aqua ligand and two water solvent molecules in general positions, as well as one water solvent molecule that is located on a twofold rotation axis. The Co(II) cations are octahedrally coordinated by two terminally N-bonded thiocyanate anions, one water molecule and three isonicotinamide ligands, each coordinating via the pyridine N atom. The discrete complexes are linked by intermolecular O—H⋯O, N—H⋯O and N—H⋯S hydrogen bonding into a three-dimensional network that contains cavities in which the solvent water molecules are located. The latter are linked by further O—H⋯O hydrogen bonds to the network. There are additional short contacts present in the crystal, indicative of weak C—H⋯S, C—H⋯O and C—H⋯N interactions. International Union of Crystallography 2016-08-09 /pmc/articles/PMC5120703/ /pubmed/27920913 http://dx.doi.org/10.1107/S2056989016012470 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 aquatris(isonicotinamide-κN)bis(thiocyanato-κN)cobalt(II) 2.5-hydrate |
title | Crystal structure of aquatris(isonicotinamide-κN)bis(thiocyanato-κN)cobalt(II) 2.5-hydrate |
title_full | Crystal structure of aquatris(isonicotinamide-κN)bis(thiocyanato-κN)cobalt(II) 2.5-hydrate |
title_fullStr | Crystal structure of aquatris(isonicotinamide-κN)bis(thiocyanato-κN)cobalt(II) 2.5-hydrate |
title_full_unstemmed | Crystal structure of aquatris(isonicotinamide-κN)bis(thiocyanato-κN)cobalt(II) 2.5-hydrate |
title_short | Crystal structure of aquatris(isonicotinamide-κN)bis(thiocyanato-κN)cobalt(II) 2.5-hydrate |
title_sort | crystal structure of aquatris(isonicotinamide-κn)bis(thiocyanato-κn)cobalt(ii) 2.5-hydrate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5120703/ https://www.ncbi.nlm.nih.gov/pubmed/27920913 http://dx.doi.org/10.1107/S2056989016012470 |
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