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链状聚[[[(乙酸根-κO,O')镉]-μ-乙酸根-κO,O':O'-μ-{1,2-双-[4-(吡啶-3-基)嘧啶-2-基硫烷基]乙烷}-κN,N]三水合物]

catena-Poly[[[(acetato-κO,O')cadmium]-μ-acetato-κO,O':O'-μ-{1,2-bis-[4-(pyridin-3-yl)pyrimidin-2-ylsulfan-yl]ethane}-κN,N] trihydrate].

作者信息

Dong Hua-Ze, Chu Zhao-Lian

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):m1740. doi: 10.1107/S1600536811046794. Epub 2011 Nov 12.

Abstract

The title compound, {[Cd(CH(3)COO)(2)(C(20)H(16)N(6)S(2))]·3H(2)O}(n), exists as a one-dimensional zigzag polymer in which the Cd(II) ion shows a seven-coordinate [CdO(5)N(2)] distorted penta-gonal-bipyramidal geometry with the N atoms in axial positions and an N-Cd-N angle of 176.94 (13)°. The metal atoms are bridged by 1,2-bis-[4-(pyridin-3-yl)pyrimidin-2-ylsulfan-yl]ethane ligands, giving a polymeric chain extending along the b axis. Adjacent chains related by an inversion center are further bridged by Cd-O bonds formed between the O atom of one of the acetate ligands and the metal atom. The five Cd-O bond lengths are in the range 2.329 (3)-2.485 (3) Å. There are π-π stacking inter-actions between the aromatic rings of adjacent polymeric chains, the centroid-centroid distances being 3.556 (3) and 3.698 (3) Å, organizing the chains into a three-dimensional framework. This framework is additionally stabilized by extensive O-H⋯O and O-H⋯N hydrogen bonding between water mol-ecules and the ligands.

摘要

标题化合物{[Cd(CH₃COO)₂(C₂₀H₁₆N₆S₂)]·3H₂O}ₙ为一维锯齿状聚合物,其中Cd(II)离子呈七配位[CdO₅N₂]扭曲五角双锥几何构型,N原子位于轴向位置,N-Cd-N键角为176.94 (13)°。金属原子由1,2-双-[4-(吡啶-3-基)嘧啶-2-基硫烷基]乙烷配体桥连,形成沿b轴延伸的聚合物链。由对称中心相关的相邻链通过一个乙酸根配体的O原子与金属原子之间形成的Cd-O键进一步桥连。五个Cd-O键长在2.329 (3)-2.485 (3) Å范围内。相邻聚合物链的芳香环之间存在π-π堆积相互作用,质心间距为3.556 (3)和3.698 (3) Å,将链组织成三维框架。该框架还通过水分子与配体之间广泛的O-H⋯O和O-H⋯N氢键得到稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b3c3/3238649/3cad2ab6dd15/e-67-m1740-fig1.jpg

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