Title
Synthesis and crystal structures of 2-(ferrocenyl-carbon-yl)benzoic acid and 3-ferrocenylphthalide
Document Type
Article
Publication Date
7-1-2020
Abstract
The title compounds, 2-(ferrocenylcarbon-yl)benzoic acid, [Fe(CH)(CHO)], , and 3-ferrocenylphthalide [systematic name: 3-ferrocenyl-2-benzo-furan-1(3)-one], [Fe(CH)(CHO)], , have been synthesized and structurally characterized by single-crystal X-ray diffraction. The crystal structure of compound was solved recently at room temperature [Qin, Y. (2019 ▸). (CCDC deposition number 1912662). CCDC, Cambridge, England]. Here we report a redetermination of its crystal structure at 90 K with improved precision by a factor of about three. The mol-ecular structures of both compounds exhibit a typical sandwich structure. In the crystal packing of compound , each mol-ecule engages in inter-molecular hydrogen bonding, forming a centrosymmetric dimer with graph-set notation (8) and an O⋯O distance of 2.6073 (15) Å. There are weak C-H⋯O and C-H⋯π inter-actions in the crystal packing of compound . The phthalide moiety in is oriented roughly perpendicular to the ferrocene backbone, with a dihedral angle of 77.4 (2)°.
Publication Source (Journal or Book title)
Acta crystallographica. Section E, Crystallographic communications
First Page
1163
Last Page
1167
Recommended Citation
Pokharel, U. R., Bergeron, J. T., & Fronczek, F. R. (2020). Synthesis and crystal structures of 2-(ferrocenyl-carbon-yl)benzoic acid and 3-ferrocenylphthalide. Acta crystallographica. Section E, Crystallographic communications, 76 (Pt 7), 1163-1167. https://doi.org/10.1107/S2056989020008452