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.
2-Benzyl-1,3-diphenylpropane-1,3-dione
✍ Scribed by Judaš, Nenad ;Kaitner, Branko
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 317 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
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.
📜 SIMILAR VOLUMES
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 par