（（，）-2,2'-{[（1,2-二苯基乙烷-1,2-二基）双-（氮杂鎓亚基）亚甲基]}双-（6-甲氧基苯酚根））三硝酸钐（III）的晶体结构和 Hirshfeld 表面分析
Crystal structure and Hirshfeld surface analysis of ((,)-2,2'-{[(1,2-di-phenyl-ethane-1,2-di-yl)bis-[(aza-n-ium-ylyl-idene)methanylyl-idene]}bis-(6-meth-oxy-phenolato))trinitratosamarium(III).
作者信息
Okumura Yuta, Takiguchi Yuji, Nakane Daisuke, Akitsu Takashiro
机构信息
Department of Chemistry, Faculty of Science, Tokyo University of Science, 1-3 Kagurazaka, Shinjuku-ku, Tokyo 162-8601, Japan.
出版信息
Acta Crystallogr E Crystallogr Commun. 2021 Apr 30;77(Pt 5):579-582. doi: 10.1107/S2056989021004424. eCollection 2021 May 1.
In the title complex, [Sm(NO)(CHNO)], the Sm atom is surrounded by ten O atoms. The (,)-2,2'-{[(1,2-di-phenyl-ethane-1,2-di-yl)bis-[(aza-niumylyl-idene)methanylyl-idene]}bis-(6-meth-oxy-phenolate) ligand, obtained from -vanillin and (1,2)-(-)-1,2-di-phenyl-ethyl-enedi-amine, exhibits a slightly distorted planar arrangement of the four coordinated O atoms. In the crystal, the complex shows intra-molecular N-H⋯O hydrogen bonds and weak inter-molecular C-H⋯O hydrogen bonds. The Hirshfeld surface analysis indicates that the most important contributions to the packing are from H⋯H (33.5%), O⋯H (34.1%) and C⋯H (21.7%) contacts.
在标题配合物[Sm(NO)(CHNO)]中，钐原子被十个氧原子包围。由香草醛和(1,2)-(-)-1,2-二苯基乙二胺制得的(,)-2,2'-{[(1,2-二苯基乙烷-1,2-二基)双-[(氮鎓基亚甲基)亚甲基]}双-(6-甲氧基苯酚盐)配体，其四个配位氧原子呈现出轻微扭曲的平面排列。在晶体中，该配合物表现出分子内N-H⋯O氢键和弱分子间C-H⋯O氢键。 Hirshfeld表面分析表明，堆积作用的最重要贡献来自H⋯H（33.5%）、O⋯H（34.1%）和C⋯H（21.7%）接触。
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