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链状聚[银(I)-双-[μ-4-甲基-1H-1,2,4-三唑-3(4H)-硫酮-κ(2) S:S]-银(I)-二-μ-硫氰酸根合-κ(2) S:N;κ(2) N:S]

catena-Poly[silver(I)-bis-[μ-4-methyl-1H-1,2,4-triazole-3(4H)-thione-κ(2) S:S]-silver(I)-di-μ-thio-cyanato-κ(2) S:N;κ(2) N:S].

作者信息

Kodcharat Kultida, Pakawatchai Chaveng, Saithong Saowanit

机构信息

Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Prince of Songkla University, Hat Yai, Songkhla 90112, Thailand.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 13;69(Pt 5):m265-6. doi: 10.1107/S160053681300946X. Print 2013 May 1.

Abstract

In the title one-dimensional coordination polymer, [Ag2(NCS)2(C3H5N3S)2] n , the Ag(I) atom adopts a distorted tetra-hedral AgNS3 geometry. Adjacent Ag(I) atoms in the [001] chain are alternately linked by pairs of bridging 4-methyl-1H-1,2,4-triazole-3(4H)-thione (Hmptrz) ligands (via their S atoms) and double thio-cyanate bridges linking through both S and N atoms (μ-1,3-SCN). An intra-chain N-H⋯N hydrogen bond occurs between the NH group of the triazole ring and the N atom of the thio-cyanate bridging ligand. A (101) sheet structure arises from inter-chain S⋯N short contacts [3.239 (3) Å] involving the thio-cyanate S atom and the triazole-ring N atom and possible very weak π-π stacking [centroid-centroid separation = 4.0762 (18) Å] between the triazole rings.

摘要

在一维配位聚合物[Ag2(NCS)2(C3H5N3S)2]n中,Ag(I)原子采用扭曲的四面体AgNS3几何构型。[001]链中相邻的Ag(I)原子通过成对的桥连4-甲基-1H-1,2,4-三唑-3(4H)-硫酮(Hmptrz)配体(通过其S原子)和通过S和N原子连接的双硫氰酸酯桥(μ-1,3-SCN)交替相连。在三唑环的NH基团与硫氰酸酯桥连配体的N原子之间形成链内N-H⋯N氢键。(101)层状结构由涉及硫氰酸酯S原子和三唑环N原子的链间S⋯N短接触[3.239 (3) Å]以及三唑环之间可能非常弱的π-π堆积[质心-质心间距 = 4.0762 (18) Å]产生。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/909b/3647807/970db35ca72b/e-69-0m265-fig1.jpg

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