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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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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. |
format | Online Article Text |
id | pubmed-3212172 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT gehaiyan bism35dimethyl4h124triazol4aminek2n1n2bisbisthiocyanatoknzincbis35dimethyl4h124triazol4aminekn1bisthiocyanatoknzinc12 AT libaolong bism35dimethyl4h124triazol4aminek2n1n2bisbisthiocyanatoknzincbis35dimethyl4h124triazol4aminekn1bisthiocyanatoknzinc12 |