Synthesis and crystal structures of 2-(ferrocenyl-carbon-yl)benzoic acid and 3-ferrocenylphthalide
The title compounds, 2-(ferrocenylcarbon-yl)benzoic acid, [Fe(C H )(C H O )], , and 3-ferrocenylphthalide [systematic name: 3-ferrocenyl-2-benzo-furan-1(3 )-one], [Fe(C H )(C H O )], , have been synthesized and structurally characterized by single-crystal X-ray diffraction. The crystal structure of...
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| Published in: | Acta crystallographica. Section E, Crystallographic communications Vol. 76; no. Pt 7; pp. 1163 - 1167 |
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| Main Authors: | , , |
| Format: | Journal Article |
| Language: | English |
| Published: |
England
International Union of Crystallography
01-07-2020
|
| Subjects: | |
| Online Access: | Get full text |
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| Summary: | The title compounds, 2-(ferrocenylcarbon-yl)benzoic acid, [Fe(C
H
)(C
H
O
)],
, and 3-ferrocenylphthalide [systematic name: 3-ferrocenyl-2-benzo-furan-1(3
)-one], [Fe(C
H
)(C
H
O
)],
, 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)°. |
|---|---|
| Bibliography: | ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 |
| ISSN: | 2056-9890 2056-9890 |
| DOI: | 10.1107/S2056989020008452 |