Otaño Vega Myrna R, Rivero Kennett I, Montes González Ingrid
Department of Chemistry, University of Puerto Rico, Río Piedras Campus, San Juan, Puerto Rico.
Acta Crystallogr Sect E Struct Rep Online. 2014 Feb 26;70(Pt 3):m108-9. doi: 10.1107/S1600536814003912. eCollection 2014 Mar 1.
The structure of the title compound, [Fe(C5H5)(C15H13O2)], consists of a ferrocenyl moiety and a 2-meth-oxy-phenyl group linked through a prop-2-en-1-one spacer in an E conformation. In the ferrocene unit, the substituted cyclo-penta-dienyl (Cps) ring and the unsubstituted cyclo-penta-dienyl ring (Cp) are almost parallel to one another [dihedral angle = 1.78 (14)°], and the Cp and Cps rings are in a gauche conformation. The benzene ring is twisted by 10.02 (14) and 11.38 (11)° with respect to the Cp and Cps rings, respectively. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds into supra-molecular chains running along the b-axis direction.
标题化合物[Fe(C₅H₅)(C₁₅H₁₃O₂)]的结构由一个二茂铁基部分和一个通过处于E构象的1-丙烯-1-酮间隔基相连的2-甲氧基苯基组成。在二茂铁单元中，取代的环戊二烯基（Cps）环和未取代的环戊二烯基环（Cp）几乎相互平行[二面角 = 1.78 (14)°]，且Cp和Cps环呈gauche构象。苯环相对于Cp环和Cps环分别扭转了10.02 (14)°和11.38 (11)°。在晶体中，分子通过弱C—H⋯O氢键连接成沿b轴方向延伸的超分子链。
