首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structures and Hirshfeld surface analyses of (N-hexyl-N-methyl­dithio­carbamato-κ2SS′)triphenyl­tin(IV) and N-methyl-N-(2-phenyl­ethyl)­dithio­carbamato-κ2SS′tri­phenyl­tin(IV)
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Crystal structures and Hirshfeld surface analyses of (N-hexyl-N-methyl­dithio­carbamato-κ2SS′)triphenyl­tin(IV) and N-methyl-N-(2-phenyl­ethyl)­dithio­carbamato-κ2SS′tri­phenyl­tin(IV)

机译:(N-己基-N-甲基­二硫­基氨基甲酸酯-κ2的晶体结构和Hirshfeld表面分析SS)三苯基­锡(IV)和N-甲基-N-(2-苯基­乙基)­二硫­氨基甲酸酯-κ2SS三苯基­锡(IV)

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摘要

The crystal and mol­ecular structures of two tri­phenyl­tin di­thio­carbamate compounds, viz. [Sn(C6H5)3(C8H16NS2)], (I), and [Sn(C6H5)3(C10H12NS2)], (II), are described. The di­thio­carbamate ligand in each mol­ecule coordinates in an asymmetric fashion resulting in heavily distorted tetra­hedral C3S coordin­ation geometries for the Sn atoms, with the distortions traced to the close approach of the non-coordinating thione-S atom. The mol­ecular packing in both compounds features C—H⋯π(Sn-phen­yl) inter­actions. In (I), the donors are Sn-phenyl-C—H groups leading to centrosymmetric aggregates, while in (II), the donors are both Sn-phenyl-C—H and methyl-C—H groups leading to supra­molecular chains propagating along the b axis. The identified aggregates assemble into their respective crystals with no directional inter­actions between them. An analysis of the Hirshfeld surfaces show distinctive patterns, but an overwhelming predominance (>99% in each case) of H⋯H, C⋯H/H⋯C and S⋯H/H⋯S contacts on the respective Hirshfeld surface.
机译:两种三苯基­锡二硫代氨基甲酸酯化合物的晶体和分子结构。描述了[Sn(C6H5)3(C8H16NS2)],(I)和[Sn(C6H5)3(C10H12NS2)],(II)。每个分子中的二硫代氨基甲酸酯配体以不对称方式配位,导致Sn原子的四面体C3S配位几何严重扭曲,其畸变可追溯至非配位硫酮-S原子的紧密结合。两种化合物中的分子堆积都具有CH-π(Sn-苯甲酰基)相互作用。在(I)中,给体是导致中心对称聚集体的Sn-苯基-CH基团,而在(II)中,给体是导致超分子链传播的Sn-苯基-CH基团和甲基-CH基团沿b轴。识别出的聚集体组装成各自的晶体,它们之间没有方向相互作用。对Hirshfeld表面的分析显示出独特的图案,但是在各个Hirshfeld表面上的H⋯H,C⋯H / H⋯C和S⋯H / H⋯S接触占绝大多数(每种情况> 99%)。

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