| Autor: |
Pokharel UR; Department of Chemistry & Physical Sciences, Nicholls State University, Thibodaux, Louisiana 70301, USA., Bergeron JT; Department of Chemistry & Physical Sciences, Nicholls State University, Thibodaux, Louisiana 70301, USA., Fronczek FR; Department of Chemistry, Louisiana State University, Baton Rouge, Louisiana, 70803, USA. |
| Jazyk: |
angličtina |
| Zdroj: |
Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2020 Jun 30; Vol. 76 (Pt 7), pp. 1163-1167. Date of Electronic Publication: 2020 Jun 30 (Print Publication: 2020). |
| DOI: |
10.1107/S2056989020008452 |
| Abstrakt: |
The title compounds, 2-(ferrocenylcarbon-yl)benzoic acid, [Fe(C 5 H 5 )(C 13 H 9 O 3 )], 1 , and 3-ferrocenylphthalide [systematic name: 3-ferrocenyl-2-benzo-furan-1(3 H )-one], [Fe(C 5 H 5 )(C 13 H 9 O 2 )], 2 , have been synthesized and structurally characterized by single-crystal X-ray diffraction. The crystal structure of compound 1 was solved recently at room temperature [Qin, Y. (2019 ▸). CSD Communication (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 1 , each mol-ecule engages in inter-molecular hydrogen bonding, forming a centrosymmetric dimer with graph-set notation R 2 2 (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 2 . The phthalide moiety in 2 is oriented roughly perpendicular to the ferrocene backbone, with a dihedral angle of 77.4 (2)°.
(© Pokharel et al. 2020.) |
| Databáze: |
MEDLINE |
| Externí odkaz: |
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