Krupp Anna, Wegge Jessica, Otte Felix, Kleinheider Johannes, Wall Helene, Strohmann Carsten
Technische Universität Dortmund, Fakultät Chemie und Chemische Biologie, Otto-Hahn-Strasse 6, 44227 Dortmund, Germany.
Acta Crystallogr E Crystallogr Commun. 2020 Aug 11;76(Pt 9):1437-1441. doi: 10.1107/S2056989020010397. eCollection 2020 Sep 1.
The title compound [(,-di-methyl-amino)-meth-yl]ferrocene, [Fe(CH)(CHN)], (), is an inter-esting starting material for the synthesis of planar chiral 1,2-disubstituted ferrocenes, as demonstrated by the preparation of ( , )-bis-{2-[(di-methyl-amino)-meth-yl]ferrocen-yl}di-methyl-silane, [Fe(CH)(CHNSi)], (), from the li-thia-ted derivative of . The configuration of the lithium compound is unchanged after the substitution reaction and the chirality is preserved in space group 222. In both compounds, the Cp rings adopt eclipsed conformations. Hirshfeld surface analysis was used to investigate the inter-molecular inter-actions, and showed that H⋯H (van der Waals) inter-actions dominate in both structures with contact percentages of 83.9 and 88.4% for and , respectively.
标题化合物[(,-二甲基氨基)-甲基]二茂铁,[Fe(CH)(CHN)],(),是合成平面手性1,2-二取代二茂铁的一种有趣的起始原料,如通过由的锂化衍生物制备(,)-双-{2-[(二甲基氨基)-甲基]二茂铁基}二甲基硅烷,[Fe(CH)(CHNSi)],()所证明的那样。锂化合物的构型在取代反应后保持不变,并且在手性空间群222中手性得以保留。在这两种化合物中,Cp环均采用重叠构象。使用 Hirshfeld 表面分析来研究分子间相互作用,结果表明H⋯H(范德华)相互作用在两种结构中均占主导,对于和,接触百分比分别为83.9%和88.4%。