首页> 外文OA文献 >Crystal structures and Hirshfeld surface analyses of bisN,N-bis(2-methoxyethyl)dithiocarbamato-κ2 S,S′di-n-butyltin(IV) and N-(2-methoxyethyl)-N-methyldithiocarbamato-κ2 S,S′triphenyltin(IV)
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Crystal structures and Hirshfeld surface analyses of bisN,N-bis(2-methoxyethyl)dithiocarbamato-κ2 S,S′di-n-butyltin(IV) and N-(2-methoxyethyl)-N-methyldithiocarbamato-κ2 S,S′triphenyltin(IV)

机译:双N,N-双(2-甲氧基乙基)二硫代氨基甲酸-κ2S,S'二-正丁基锡(IV)和N-(2-甲氧基乙基)-N-甲基二硫代氨基甲酸-κ2的晶体结构和Hirshfeld表面分析S,S'三苯基锡(IV)

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摘要

The crystal and molecular structures of the two title organotin dithiocarbamate compounds, [Sn(C4H9)2(C7H14NO2S2)2], (I), and [Sn(C6H5)3(C5H10NOS2)], (II), are described. Both structures feature asymmetrically bound dithiocarbamate ligands leading to a skew-trapezoidal bipyramidal geometry for the metal atom in (I) and a distorted tetrahedral geometry in (II). The complete molecule of (I) is generated by a crystallographic twofold axis (Sn site symmetry 2). In the crystal of (I), molecules self-assemble into a supramolecular array parallel to (101) via methylene-C—H...O(methoxy) interactions. In the crystal of (II), supramolecular dimers are formed via pairs of weak phenyl-C—H...π(phenyl) contacts. In each of (I) and (II), the specified assemblies connect into a threedimensional architecture without directional interactions between them. Hirshfeld surface analyses confirm the importance of H...H contacts in the molecular packing of each of (I) and (II), and in the case of (I), highlight the importance of short methoxy-H...H(butyl) contacts between layers.
机译:描述了两种标题有机锡二硫代氨基甲酸酯化合物[Sn(C4H9)2(C7H14NO2S2)2](I)和[Sn(C6H5)3(C5H10NOS2)](II)的晶体和分子结构。两种结构均具有不对称结合的二硫代氨基甲酸酯配体,导致(I)中金属原子的斜梯形双锥体几何结构和(II)中扭曲的四面体几何结构。 (I)的完整分子是由晶体学的双重轴(Sn位点对称性2)产生的。在(I)的晶体中,分子通过亚甲基-CHH ... O(甲氧基)相互作用自组装成与(101)平行的超分子阵列。在(II)的晶体中,超分子二聚体通过成对的弱苯基-CH ...π(苯基)接触形成。在(I)和(II)的每一个中,指定的程序集都连接成三维结构,而它们之间没有方向性的交互作用。 Hirshfeld表面分析证实了H ... H接触在(I)和(II)的分子堆积中的重要性,在(I)的情况下,强调了短甲氧基-H ... H(丁基)接触层之间。

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