Inhaltsu È bersicht. Die Liganden 1-Ethoxycarbonyl-3-ferrocenyl-propan-1,3-dion und Ferrocen-1,1'-bis(2,4-dioxobutansa È ureethylester) werden durch Reaktion von Acetylferrocen bzw. 1,1'-Diacetylferrocen mit Oxalsa È urediethylester dargestellt. Sie bilden unter Deprotonierung neutrale Chelate mit C
1-Ferrocenyl-3-(4-n-octoxylphenyl)propane-1,3-dione
✍ Scribed by Shang, Yadong ;Li, Baoguo ;Hu, Ruijue ;Su, Yongsheng ;Tang, Qun
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 694 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The title compound, [Fe(C 5 H 5 )(C 22 H 27 O 3 )], which forms an extended conjugated system and appears in the enol form, is mainly stabilized by an intramolecular hydrogen bond. The Fe-C bond distances are nearly equal with a mean value of 2.0312 A ˚. The two cyclopentadienyl rings are almost parallel to each other, as shown by the dihedral angle of 0.97 (17) . In the structure, ferrocenyl is the more powerful electrondonating group, with the result that the carbonyl group substituted on the benzene ring has the enol form.
📜 SIMILAR VOLUMES
The molecule of 2-benzyl-1,3-diphenylpropane-1,3-dione, C 22 H 18 O 2 , being a diketo tautomer, shows different stereochemistry from that of the closed-ring cis-ketoenol tautomer of the parent 1,3-diphenylpropane-1,3-dione. The molecular packing involves C-HÁ Á ÁO andstacking interactions.
Single-crystal X-ray study T = 298 K Mean '(C±C) = 0.005 A Ê R factor = 0.031 wR factor = 0.085 Data-to-parameter ratio = 8.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Single-crystal X-ray study T = 298 K Mean '(C±C) = 0.003 A Ê R factor = 0.044 wR factor = 0.134 Data-to-parameter ratio = 15.1 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Single-crystal X-ray study T = 183 K Mean '(C±C) = 0.002 A Ê Disorder in main residue R factor = 0.049 wR factor = 0.144 Data-to-parameter ratio = 16.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.