Abstract
In the title compound, [Fe(C5H5)(C15H13O2)], a conjugated substituent group bridges a five-membered η5-C5H4 ring and a benzene ring. In the ferrocene unit, the substituted (Cps) and unsubstituted (Cp) cyclopentadienyl rings are eclipsed and almost parallel [Cps—Fe—Cps angle = 176.1 (2)°]. The molecule is linked into an S(5) motif via intramolecular C—H⋯O hydrogen bonds. The molecules are arranged into a three-dimensional framework by five intermolecular C—H⋯O hydrogen bonds and one intermolecular C—H⋯π(Cps) interaction.
Highlights
In the title compound, [Fe(C5H5)(C15H13O2)], a conjugated substituent group bridges a five-membered 5-C5H4 ring and a benzene ring
The molecules are arranged into a three-dimensional framework by five intermolecular C— HÁ Á ÁO hydrogen bonds and one intermolecular C— HÁ Á Á(Cps) interaction
Cg1 is the centroid of the substituted cyclopentadienyl ring
Summary
Key indicators: single-crystal X-ray study; T = 296 K; mean (C–C) = 0.003 A; R factor = 0.033; wR factor = 0.090; data-to-parameter ratio = 18.1. In the title compound, [Fe(C5H5)(C15H13O2)], a conjugated substituent group bridges a five-membered 5-C5H4 ring and a benzene ring. The substituted (Cps) and unsubstituted (Cp) cyclopentadienyl rings are eclipsed and almost parallel [Cps—Fe—Cps angle = 176.1 (2)]. The molecule is linked into an S(5) motif via intramolecular C—HÁ Á ÁO hydrogen bonds. The molecules are arranged into a three-dimensional framework by five intermolecular C— HÁ Á ÁO hydrogen bonds and one intermolecular C— HÁ Á Á(Cps) interaction. Related literature For related literature, see: Bernstein et al (1995); Edwards et al (1975); Huang et al (1998); Liang et al (1998); Liu et al (2001, 2003, 2008); Shi et al (2004); Yarishkin et al (2008); Zhai et al (1999)
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