5-(4-Hydroxy-3-methoxyphenyl)-1-phenylpent-4-ene-1,3-dione
✍ Scribed by Arrieta, Antonio F. ;Mostad, Arvid
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 542 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 152 K Mean '(C±C) = 0.004 A Ê R factor = 0.044 wR factor = 0.141 Data-to-parameter ratio = 7.1 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The title compound, C 16 H 14 O 3 , crystallizes in the triclinic system, with two independent molecules in the asymmetric unit; these are related by a non-crystallographic twofold rotation axis. The two molecules differ slightly in the relative orientation of the two aromatic rings. They are linked
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.
The title molecule, C 18 H 16 O 3 , exists in the enolized form and displays a strong intramolecular hydrogen bond. Except for van der Waals interactions, the intermolecular contacts are dominated by weak hydrogen bonding of the type C-HÁ Á ÁO and aromatic C-HÁ Á Á.