首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of an unknown solvate of {22′-ethane-12-diylbis(nitrilo­methanylyl­idene)diphenolato-κ4ONN′O′}(N-ferrocenylisonicotinamide-κN1)cobalt(II): a CoII–salen complex that forms hydrogen-bonded dimers
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Crystal structure of an unknown solvate of {22′-ethane-12-diylbis(nitrilo­methanylyl­idene)diphenolato-κ4ONN′O′}(N-ferrocenylisonicotinamide-κN1)cobalt(II): a CoII–salen complex that forms hydrogen-bonded dimers

机译:{22-乙烷-12-二基双(亚硝­基甲基亚甲叉基)二酚-κ4的未知溶剂化物的晶体结构ONNO}(N-二茂铁基异烟酰胺-κN1)钴(II):CoII-salen络合物形成氢键二聚体

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摘要

The title compound, [CoFe(C5H5)(C16H14N2O2)(C11H9N2O)], was prepared as an air-stable red–brown solid by mixing equimolar amounts of {2,2′-[ethane-1,2-diylbis(nitrilo­methanylyl­idene)]diphenolato}cobalt(II) and N-ferrocenylisonicotinamide in dry di­chloro­methane under nitro­gen and was characterized by ESI–MS, IR, and single-crystal X-ray diffraction. The structure at 100 K has triclinic (P-1) symmetry and indicates that the complex crystallizes as a mixture of λ and δ conformers. It exhibits the expected square pyramidal geometry about Co, and forms hydrogen-bonded dimers through amide N—H groups and phenolate O atoms on an adjacent mol­ecule. The involvement of only half of the salen ring structure in hydrogen-bonding inter­actions results in slight folding of the salen ring away from the pyridine coordination site in the δ conformer with an inter-salicyl­idene fold angle of 9.9 (7)°. In contrast, the λ conformer is nearly planar. The dimers pack into an open structure containing channels filled with highly disordered solvent mol­ecules. These solvent molecules’ contributions to the intensity data were removed with the SQUEEZE procedure [Spek (2015). Acta Cryst. C>71, 9–18] available in PLATON.
机译:标题化合物[CoFe(C5H5)(C16H14N2O2)(C11H9N2O)]通过混合等摩尔量的{2,2'-[乙烷-1,2-二基双(亚硝基甲基亚甲基)亚基]制备为空气稳定的红棕色固体在干燥的二氯甲烷中,氮气中的]]二酚基}钴(II)和N-二茂铁基异烟酰胺,通过ESI-MS,IR和单晶X射线衍射进行表征。 100 K的结构具有三斜(P-1)对称性,表明该复合物结晶为λ和δ构象异构体的混合物。它表现出预期的关于Co的方形金字塔形状,并通过酰胺NH基团和相邻分子上的酚O原子形成氢键结合的二聚体。 Salen环结构中只有一半参与氢键相互作用,导致salen环略微折叠,远离δ构象中的吡啶配位点,而水杨基间亚烷基的折叠角为9.9(7)°。相反,λ构象体几乎是平面的。二聚体堆积成一个开放的结构,其中包含充满高度无序的溶剂分子的通道。这些溶剂分子对强度数据的贡献已通过SQUEEZE程序[Spek(2015)。 Acta Cryst。 C > 71 ,9–18]在PLATON中可用。

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