Diaquabis­(thio­cyanato-κN)bis[6-(4H-1,2,4-triazol-4-yl-κN (1))pyridin-2-amine]­cadmium

In the title compound, [Cd(NCS)(2)(C(7)H(7)N(5))(2)(H(2)O)(2)], the Cd(II) cation lies on an inversion center and is coordinated by the N atoms of two thiocyanate anions, by N atoms of two 6-(4H-1,2,4-triazol-4-yl)pyridin-2-amine ligands and by the O atoms of two water molecules in a distorted N(4)O...

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Detalles Bibliográficos
Autores principales: Liu, Yuan-Yuan, Yang, Pan, Ding, Bin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Metal-Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414147/
https://www.ncbi.nlm.nih.gov/pubmed/22904754
http://dx.doi.org/10.1107/S1600536812032473
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author Liu, Yuan-Yuan
Yang, Pan
Ding, Bin
author_facet Liu, Yuan-Yuan
Yang, Pan
Ding, Bin
author_sort Liu, Yuan-Yuan
collection PubMed
description In the title compound, [Cd(NCS)(2)(C(7)H(7)N(5))(2)(H(2)O)(2)], the Cd(II) cation lies on an inversion center and is coordinated by the N atoms of two thiocyanate anions, by N atoms of two 6-(4H-1,2,4-triazol-4-yl)pyridin-2-amine ligands and by the O atoms of two water molecules in a distorted N(4)O(2) octa­hedral geometry. The dihedral angle between the triazole and pyridine rings is 23.15 (12)°. In the crystal, mol­ecules are linked by N—H⋯N and O—H⋯S hydrogen bonds. Offset π–π stacking between parallel pyridine rings of adjacent mol­ecules is also observed, the centroid–centroid distance being 3.6319 (14) Å.
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spelling pubmed-34141472012-08-17 Diaquabis­(thio­cyanato-κN)bis[6-(4H-1,2,4-triazol-4-yl-κN (1))pyridin-2-amine]­cadmium Liu, Yuan-Yuan Yang, Pan Ding, Bin Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title compound, [Cd(NCS)(2)(C(7)H(7)N(5))(2)(H(2)O)(2)], the Cd(II) cation lies on an inversion center and is coordinated by the N atoms of two thiocyanate anions, by N atoms of two 6-(4H-1,2,4-triazol-4-yl)pyridin-2-amine ligands and by the O atoms of two water molecules in a distorted N(4)O(2) octa­hedral geometry. The dihedral angle between the triazole and pyridine rings is 23.15 (12)°. In the crystal, mol­ecules are linked by N—H⋯N and O—H⋯S hydrogen bonds. Offset π–π stacking between parallel pyridine rings of adjacent mol­ecules is also observed, the centroid–centroid distance being 3.6319 (14) Å. International Union of Crystallography 2012-07-21 /pmc/articles/PMC3414147/ /pubmed/22904754 http://dx.doi.org/10.1107/S1600536812032473 Text en © Liu et al. 2012 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 Metal-Organic Papers
Liu, Yuan-Yuan
Yang, Pan
Ding, Bin
Diaquabis­(thio­cyanato-κN)bis[6-(4H-1,2,4-triazol-4-yl-κN (1))pyridin-2-amine]­cadmium
title Diaquabis­(thio­cyanato-κN)bis[6-(4H-1,2,4-triazol-4-yl-κN (1))pyridin-2-amine]­cadmium
title_full Diaquabis­(thio­cyanato-κN)bis[6-(4H-1,2,4-triazol-4-yl-κN (1))pyridin-2-amine]­cadmium
title_fullStr Diaquabis­(thio­cyanato-κN)bis[6-(4H-1,2,4-triazol-4-yl-κN (1))pyridin-2-amine]­cadmium
title_full_unstemmed Diaquabis­(thio­cyanato-κN)bis[6-(4H-1,2,4-triazol-4-yl-κN (1))pyridin-2-amine]­cadmium
title_short Diaquabis­(thio­cyanato-κN)bis[6-(4H-1,2,4-triazol-4-yl-κN (1))pyridin-2-amine]­cadmium
title_sort diaquabis­(thio­cyanato-κn)bis[6-(4h-1,2,4-triazol-4-yl-κn (1))pyridin-2-amine]­cadmium
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414147/
https://www.ncbi.nlm.nih.gov/pubmed/22904754
http://dx.doi.org/10.1107/S1600536812032473
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AT dingbin diaquabisthiocyanatoknbis64h124triazol4ylkn1pyridin2aminecadmium

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