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.
2-(4-Bromobenzyl)-1,3-diphenylpropane-1,3-dione
✍ Scribed by Karban, James W. ;Aparicio, Michael K. ;Palacios, Rene R. ;Richardson, Kyle A. ;Klausmeyer, Kevin K.
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 190 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
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.
📜 SIMILAR VOLUMES
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.
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 = 295 K Mean (C-C) = 0.005 A R factor = 0.041 wR factor = 0.115 Data-to-parameter ratio = 14.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
View of the molecule of (I), showing the atom-labeling scheme. Displacement ellipsoids are drawn at the 30% probability level.
In the title molecule, C 9 H 8 NO 2 Cl, the dihedral angle between the aromatic ring and propan-2-one oxime moiety is 54.05 (4) . In the crystal structure, the molecules exist as OÐHÁ Á ÁN hydrogen-bonded dimers around the inversion centres.