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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...

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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/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.
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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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