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Crystal and mol­ecular structures of a binuclear mixed ligand complex of silver(I) with thio­cyanate and 1H-1,2,4-triazole-5(4H)-thione

The complete mol­ecule of the binuclear title complex, bis­[μ-1H-1,2,4-triazole-5(4H)-thione-κ(2) S:S]bis­{(thio­cyanato-κS)[1H-1,2,4-triazole-5(4H)-thione-κS]silver(I)}, [Ag(2)(SCN)(2)(C(2)H(3)N(3)S)(4)], is generated by crystallographic inversion symmetry. The independent triazole-3-thione ligands...

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Autores principales: Kreaunakpan, Janjira, Chainok, Kittipong, Halcovitch, Nathan R., Tiekink, Edward R. T., Pirojsirikul, Teerapong, Saithong, Saowanit
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6944082/
https://www.ncbi.nlm.nih.gov/pubmed/31921450
http://dx.doi.org/10.1107/S2056989019016359
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author Kreaunakpan, Janjira
Chainok, Kittipong
Halcovitch, Nathan R.
Tiekink, Edward R. T.
Pirojsirikul, Teerapong
Saithong, Saowanit
author_facet Kreaunakpan, Janjira
Chainok, Kittipong
Halcovitch, Nathan R.
Tiekink, Edward R. T.
Pirojsirikul, Teerapong
Saithong, Saowanit
author_sort Kreaunakpan, Janjira
collection PubMed
description The complete mol­ecule of the binuclear title complex, bis­[μ-1H-1,2,4-triazole-5(4H)-thione-κ(2) S:S]bis­{(thio­cyanato-κS)[1H-1,2,4-triazole-5(4H)-thione-κS]silver(I)}, [Ag(2)(SCN)(2)(C(2)H(3)N(3)S)(4)], is generated by crystallographic inversion symmetry. The independent triazole-3-thione ligands employ the exocyclic-S atoms exclusively in coordination. One acts as a terminal S-ligand and the other in a bidentate (μ(2)) bridging mode to provide a link between two Ag(I) centres. Each Ag(I) atom is also coordinated by a terminal S-bound thio­cyanate ligand, resulting in a distorted AgS(4) tetra­hedral coordination geometry. An intra­molecular N—H⋯S(thio­cyanate) hydrogen bond is noted. In the crystal, amine-N—H⋯S(thione), N—H⋯N(triazol­yl) and N—H⋯N(thio­cyanate) hydrogen bonds give rise to a three-dimensional architecture. The packing is consolidated by triazolyl-C—H⋯S(thio­cyanate), triazolyl-C—H⋯N(thiocyanate) and S⋯S [3.2463 (9) Å] inter­actions as well as face-to-face π–π stacking between the independent triazolyl rings [inter-centroid separation = 3.4444 (15) Å]. An analysis of the calculated Hirshfeld surfaces shows the three major contributors are due to N⋯H/H⋯N, S⋯H/H⋯S and C⋯H/H⋯C contacts, at 35.8, 19.4 and 12.7%, respectively; H⋯H contacts contribute only 7.6% to the overall surface.
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spelling pubmed-69440822020-01-09 Crystal and mol­ecular structures of a binuclear mixed ligand complex of silver(I) with thio­cyanate and 1H-1,2,4-triazole-5(4H)-thione Kreaunakpan, Janjira Chainok, Kittipong Halcovitch, Nathan R. Tiekink, Edward R. T. Pirojsirikul, Teerapong Saithong, Saowanit Acta Crystallogr E Crystallogr Commun Research Communications The complete mol­ecule of the binuclear title complex, bis­[μ-1H-1,2,4-triazole-5(4H)-thione-κ(2) S:S]bis­{(thio­cyanato-κS)[1H-1,2,4-triazole-5(4H)-thione-κS]silver(I)}, [Ag(2)(SCN)(2)(C(2)H(3)N(3)S)(4)], is generated by crystallographic inversion symmetry. The independent triazole-3-thione ligands employ the exocyclic-S atoms exclusively in coordination. One acts as a terminal S-ligand and the other in a bidentate (μ(2)) bridging mode to provide a link between two Ag(I) centres. Each Ag(I) atom is also coordinated by a terminal S-bound thio­cyanate ligand, resulting in a distorted AgS(4) tetra­hedral coordination geometry. An intra­molecular N—H⋯S(thio­cyanate) hydrogen bond is noted. In the crystal, amine-N—H⋯S(thione), N—H⋯N(triazol­yl) and N—H⋯N(thio­cyanate) hydrogen bonds give rise to a three-dimensional architecture. The packing is consolidated by triazolyl-C—H⋯S(thio­cyanate), triazolyl-C—H⋯N(thiocyanate) and S⋯S [3.2463 (9) Å] inter­actions as well as face-to-face π–π stacking between the independent triazolyl rings [inter-centroid separation = 3.4444 (15) Å]. An analysis of the calculated Hirshfeld surfaces shows the three major contributors are due to N⋯H/H⋯N, S⋯H/H⋯S and C⋯H/H⋯C contacts, at 35.8, 19.4 and 12.7%, respectively; H⋯H contacts contribute only 7.6% to the overall surface. International Union of Crystallography 2020-01-01 /pmc/articles/PMC6944082/ /pubmed/31921450 http://dx.doi.org/10.1107/S2056989019016359 Text en © Kreaunakpan et al. 2020 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Kreaunakpan, Janjira
Chainok, Kittipong
Halcovitch, Nathan R.
Tiekink, Edward R. T.
Pirojsirikul, Teerapong
Saithong, Saowanit
Crystal and mol­ecular structures of a binuclear mixed ligand complex of silver(I) with thio­cyanate and 1H-1,2,4-triazole-5(4H)-thione
title Crystal and mol­ecular structures of a binuclear mixed ligand complex of silver(I) with thio­cyanate and 1H-1,2,4-triazole-5(4H)-thione
title_full Crystal and mol­ecular structures of a binuclear mixed ligand complex of silver(I) with thio­cyanate and 1H-1,2,4-triazole-5(4H)-thione
title_fullStr Crystal and mol­ecular structures of a binuclear mixed ligand complex of silver(I) with thio­cyanate and 1H-1,2,4-triazole-5(4H)-thione
title_full_unstemmed Crystal and mol­ecular structures of a binuclear mixed ligand complex of silver(I) with thio­cyanate and 1H-1,2,4-triazole-5(4H)-thione
title_short Crystal and mol­ecular structures of a binuclear mixed ligand complex of silver(I) with thio­cyanate and 1H-1,2,4-triazole-5(4H)-thione
title_sort crystal and mol­ecular structures of a binuclear mixed ligand complex of silver(i) with thio­cyanate and 1h-1,2,4-triazole-5(4h)-thione
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6944082/
https://www.ncbi.nlm.nih.gov/pubmed/31921450
http://dx.doi.org/10.1107/S2056989019016359
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