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二丁基双[-(2-甲氧基乙基)-甲基二硫代氨基甲酸酯-κ,S']锡(IV):晶体结构与 Hirshfeld 表面分析

Di--butyl-bis-[-(2-meth-oxy-eth-yl)--methyl-dithio-carbamato-κ,']tin(IV): crystal structure and Hirshfeld surface analysis.

作者信息

Mohamad Rapidah, Awang Normah, Kamaludin Nurul F, Jotani Mukesh M, Tiekink Edward R T

机构信息

Biomedical Science Programme, School of Diagnostic and Applied Health Sciences, Faculty of Health Sciences, Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300 Kuala Lumpur, Malaysia.

Environmental Health and Industrial Safety Programme, School of Diagnostic and Applied Health Sciences, Faculty of Health Sciences, Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300 Kuala Lumpur, Malaysia.

出版信息

Acta Crystallogr E Crystallogr Commun. 2017 Jan 27;73(Pt 2):260-265. doi: 10.1107/S2056989017001098. eCollection 2017 Feb 1.

DOI:10.1107/S2056989017001098
PMID:28217355
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5290578/
Abstract

The complete mol-ecule of the title compound, [Sn(CH)(CHNOS)], is generated by a crystallographic mirror plane, with the Sn atom and the two inner methyl-ene C atoms of the butyl ligands lying on the mirror plane; statistical disorder is noted in the two terminal ethyl groups, which deviate from mirror symmetry. The di-thio-carbamate ligand coordinates to the metal atom in an asymmetric mode with the resulting CS donor set defining a skew trapezoidal bipyramidal geometry; the -butyl groups are disposed to lie over the longer Sn-S bonds. Supra-molecular chains aligned along the -axis direction and sustained by methyl-ene-C-H⋯S(weakly coordinating) inter-actions feature in the mol-ecular packing. A Hirshfeld surface analysis reveals the dominance of H⋯H contacts in the crystal.

摘要

标题化合物[Sn(CH)(CHNOS)]的完整分子由一个晶体学镜面生成,锡原子和丁基配体的两个内亚甲基C原子位于镜面上;两个末端乙基存在统计无序,偏离镜面对称性。二硫代氨基甲酸盐配体以不对称模式与金属原子配位,由此产生的CS供体集定义了一个斜梯形双锥几何构型;丁基位于较长的Sn-S键上方。沿轴方向排列并由亚甲基C-H⋯S(弱配位)相互作用维持的超分子链在分子堆积中具有特征。 Hirshfeld表面分析表明晶体中H⋯H接触占主导。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/107a/5290578/89465f0c3734/e-73-00260-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/107a/5290578/be2e4a53aef7/e-73-00260-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/107a/5290578/e42b346f80d4/e-73-00260-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/107a/5290578/65869890ba5b/e-73-00260-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/107a/5290578/e19e6338d6ff/e-73-00260-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/107a/5290578/eb08be024404/e-73-00260-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/107a/5290578/89465f0c3734/e-73-00260-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/107a/5290578/be2e4a53aef7/e-73-00260-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/107a/5290578/e42b346f80d4/e-73-00260-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/107a/5290578/65869890ba5b/e-73-00260-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/107a/5290578/e19e6338d6ff/e-73-00260-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/107a/5290578/eb08be024404/e-73-00260-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/107a/5290578/89465f0c3734/e-73-00260-fig6.jpg

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