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{μ-,'-双-[(吡啶-3-基)甲基]乙二酰胺}四-双-(二甲基氨基二硫代甲酸根)二锌(II)二甲基甲酰胺二溶剂合物和{μ-,'-双-[(吡啶-3-基)甲基]乙二酰胺}四-双-(二丙基氨基二硫代甲酸根)二锌(II)的晶体结构

Crystal structures of {μ-,'-bis-[(pyridin-3-yl)meth-yl]ethanedi-amide}tetra-kis-(di-methyl-carbamodi-thio-ato)dizinc(II) di-methyl-formamide disolvate and {μ-,'-bis-[(pyridin-3-yl)meth-yl]ethanedi-amide}tetra-kis-(di--propyl-carbamodi-thio-ato)dizinc(II).

作者信息

Arman Hadi D, Poplaukhin Pavel, Tiekink Edward R T

机构信息

Department of Chemistry, The University of Texas at San Antonio, One UTSA Circle, San Antonio, Texas 78249-0698, USA.

Chemical Abstracts Service, 2540 Olentangy River Rd, Columbus, Ohio, 43202, USA.

出版信息

Acta Crystallogr E Crystallogr Commun. 2017 Sep 19;73(Pt 10):1501-1507. doi: 10.1107/S2056989017012956. eCollection 2017 Oct 1.

DOI:10.1107/S2056989017012956
PMID:29250367
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5730304/
Abstract

The title structures, [Zn(CHNS)(CHNO)]·2CHNO (I) and [Zn(CHNS)(CHNO)] (II), each feature a bidentate, bridging bipyridyl-type ligand encompassing a di-amide group. In (I), the binuclear compound is disposed about a centre of inversion, leading to an open conformation, while in (II), the complete mol-ecule is completed by the application of a twofold axis of symmetry so that the bridging ligand has a U-shape. In each of (I) and (II), the di-thio-carbamate ligands are chelating with varying degrees of symmetry, so the zinc atom is within an NS set approximating a square-pyramid for (I) and a trigonal-bipyramid for (II). The solvent di-methyl-formaide (DMF) mol-ecules in (I) connect to the bridging ligand amide-N-H⋯O(DMF) and various amide-, DMF-C-H⋯O(amide, DMF) inter-actions. The resultant three-mol-ecule aggregates assemble into a three-dimensional architecture C-H⋯π(pyridyl, chelate ring) inter-actions. In (II), undulating tapes sustained by amide-N-H⋯O(amide) hydrogen bonding lead to linear supra-molecular chains with alternating mol-ecules lying to either side of the tape; no further directional inter-actions are noted in the crystal.

摘要

标题结构[Zn(CHNS)(CHNO)]·2CHNO (I) 和 [Zn(CHNS)(CHNO)] (II) 中,每个结构都有一个包含二酰胺基团的双齿桥连联吡啶型配体。在 (I) 中,双核化合物围绕一个反演中心排列,形成开放构象,而在 (II) 中,通过应用二次对称轴使整个分子完整,从而使桥连配体呈 U 形。在 (I) 和 (II) 中,二硫代氨基甲酸盐配体都以不同程度的对称性螯合,因此锌原子处于一个 NS 配位环境中,对于 (I) 近似为四方锥,对于 (II) 近似为三角双锥。(I) 中的溶剂二甲基甲酰胺 (DMF) 分子通过酰胺 -N-H⋯O(DMF) 和各种酰胺 -、DMF-C-H⋯O(酰胺, DMF) 相互作用与桥连配体相连。由此产生的三分子聚集体通过 C-H⋯π(吡啶基, 螯合环) 相互作用组装成三维结构。在 (II) 中,由酰胺 -N-H⋯O(酰胺) 氢键维持的起伏带形成线性超分子链,链上交替排列的分子位于带的两侧;晶体中未观察到进一步的定向相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d6/5730304/ce9c19ebd86c/e-73-01501-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d6/5730304/2437cba9437f/e-73-01501-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d6/5730304/a1888335168c/e-73-01501-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d6/5730304/ce9c19ebd86c/e-73-01501-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d6/5730304/2437cba9437f/e-73-01501-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d6/5730304/a1888335168c/e-73-01501-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d6/5730304/ce9c19ebd86c/e-73-01501-fig3.jpg

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