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Bis(μ-3,5-dimethyl-4H-1,2,4-triazol-4-amine-κ(2) N (1):N (2))bis­[bis­(thio­cyanato-κN)zinc]–bis­(3,5-dimethyl-4H-1,2,4-triazol-4-amine-κN (1))bis­(thio­cyanato-κN)zinc (1/2)

In the crystal structure of the title 1:2 adduct, [Zn(2)(NCS)(4)(C(4)H(8)N(4))(2)]·2[Zn(NCS)(2)(C(4)H(8)N(4))(2)] or (Ia)·2(Ib), each Zn(II) atom is coordinated in a distorted tetra­hedral geometry by four N atoms from two triazole rings of two 4-amino-3,5-dimethyl-1,2,4-triazole (admt) ligands and...

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Detalles Bibliográficos
Autores principales: Ge, Hai-Yan, Li, Bao-Long
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3212172/
https://www.ncbi.nlm.nih.gov/pubmed/22090874
http://dx.doi.org/10.1107/S1600536811027887
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author Ge, Hai-Yan
Li, Bao-Long
author_facet Ge, Hai-Yan
Li, Bao-Long
author_sort Ge, Hai-Yan
collection PubMed
description In the crystal structure of the title 1:2 adduct, [Zn(2)(NCS)(4)(C(4)H(8)N(4))(2)]·2[Zn(NCS)(2)(C(4)H(8)N(4))(2)] or (Ia)·2(Ib), each Zn(II) atom is coordinated in a distorted tetra­hedral geometry by four N atoms from two triazole rings of two 4-amino-3,5-dimethyl-1,2,4-triazole (admt) ligands and two NCS(−) ligands. In (Ia), double N (1):N (2)-bridging admt ligands connect two Zn(II) atoms, forming a dimer with a Zn(2)(admt)(2) six-membered metallacycle located on a crystallographic inversion center. In (Ib), the admt ligands exhibit monodentate N (1)-coordination modes. Weak N—H⋯N, N—H⋯S and C—H⋯S hydrogen bonds play an important role in the inter­molecular packing. The S and C atoms of two thiocyanato ligands are disordered over two sets of sites in ratios of 0.57 (3):0.43 (3) and 0.63 (3):0.37 (3), respectively.
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spelling pubmed-32121722011-11-16 Bis(μ-3,5-dimethyl-4H-1,2,4-triazol-4-amine-κ(2) N (1):N (2))bis­[bis­(thio­cyanato-κN)zinc]–bis­(3,5-dimethyl-4H-1,2,4-triazol-4-amine-κN (1))bis­(thio­cyanato-κN)zinc (1/2) Ge, Hai-Yan Li, Bao-Long Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the crystal structure of the title 1:2 adduct, [Zn(2)(NCS)(4)(C(4)H(8)N(4))(2)]·2[Zn(NCS)(2)(C(4)H(8)N(4))(2)] or (Ia)·2(Ib), each Zn(II) atom is coordinated in a distorted tetra­hedral geometry by four N atoms from two triazole rings of two 4-amino-3,5-dimethyl-1,2,4-triazole (admt) ligands and two NCS(−) ligands. In (Ia), double N (1):N (2)-bridging admt ligands connect two Zn(II) atoms, forming a dimer with a Zn(2)(admt)(2) six-membered metallacycle located on a crystallographic inversion center. In (Ib), the admt ligands exhibit monodentate N (1)-coordination modes. Weak N—H⋯N, N—H⋯S and C—H⋯S hydrogen bonds play an important role in the inter­molecular packing. The S and C atoms of two thiocyanato ligands are disordered over two sets of sites in ratios of 0.57 (3):0.43 (3) and 0.63 (3):0.37 (3), respectively. International Union of Crystallography 2011-07-16 /pmc/articles/PMC3212172/ /pubmed/22090874 http://dx.doi.org/10.1107/S1600536811027887 Text en © Ge and Li 2011 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
Ge, Hai-Yan
Li, Bao-Long
Bis(μ-3,5-dimethyl-4H-1,2,4-triazol-4-amine-κ(2) N (1):N (2))bis­[bis­(thio­cyanato-κN)zinc]–bis­(3,5-dimethyl-4H-1,2,4-triazol-4-amine-κN (1))bis­(thio­cyanato-κN)zinc (1/2)
title Bis(μ-3,5-dimethyl-4H-1,2,4-triazol-4-amine-κ(2) N (1):N (2))bis­[bis­(thio­cyanato-κN)zinc]–bis­(3,5-dimethyl-4H-1,2,4-triazol-4-amine-κN (1))bis­(thio­cyanato-κN)zinc (1/2)
title_full Bis(μ-3,5-dimethyl-4H-1,2,4-triazol-4-amine-κ(2) N (1):N (2))bis­[bis­(thio­cyanato-κN)zinc]–bis­(3,5-dimethyl-4H-1,2,4-triazol-4-amine-κN (1))bis­(thio­cyanato-κN)zinc (1/2)
title_fullStr Bis(μ-3,5-dimethyl-4H-1,2,4-triazol-4-amine-κ(2) N (1):N (2))bis­[bis­(thio­cyanato-κN)zinc]–bis­(3,5-dimethyl-4H-1,2,4-triazol-4-amine-κN (1))bis­(thio­cyanato-κN)zinc (1/2)
title_full_unstemmed Bis(μ-3,5-dimethyl-4H-1,2,4-triazol-4-amine-κ(2) N (1):N (2))bis­[bis­(thio­cyanato-κN)zinc]–bis­(3,5-dimethyl-4H-1,2,4-triazol-4-amine-κN (1))bis­(thio­cyanato-κN)zinc (1/2)
title_short Bis(μ-3,5-dimethyl-4H-1,2,4-triazol-4-amine-κ(2) N (1):N (2))bis­[bis­(thio­cyanato-κN)zinc]–bis­(3,5-dimethyl-4H-1,2,4-triazol-4-amine-κN (1))bis­(thio­cyanato-κN)zinc (1/2)
title_sort bis(μ-3,5-dimethyl-4h-1,2,4-triazol-4-amine-κ(2) n (1):n (2))bis­[bis­(thio­cyanato-κn)zinc]–bis­(3,5-dimethyl-4h-1,2,4-triazol-4-amine-κn (1))bis­(thio­cyanato-κn)zinc (1/2)
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3212172/
https://www.ncbi.nlm.nih.gov/pubmed/22090874
http://dx.doi.org/10.1107/S1600536811027887
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