Single-crystal X-ray study T = 298 K Mean (C-C) = 0.005 A R factor = 0.071 wR factor = 0.188 Data-to-parameter ratio = 12.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
4-[(3-Hydroxy-5-phenyl-1H-pyrazol-4-yl)methyl]-5-phenyl-1H-pyrazol-3(2H)-one
✍ Scribed by Baryala, Yamna ;Zerzouf, Abdelfettah ;Essassi, El Mokhtar ;Reuter, Hans ;Eickmeier, Henning
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 294 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 293 K Mean (C-C) = 0.004 A R factor = 0.047 wR factor = 0.135 Data-to-parameter ratio = 12.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The structure of the title compound, C 25 H 23 N 3 O 2 , features a central pyrazole ring; an amine NH unit interacts with the ring CO unit through an intramolecular N-HÁ Á ÁO hydrogen bond [NÁ Á ÁO = 2.700 (2) A ˚]
In the title compound, C 24 H 18 F 3 N 3 O, the molecule exists in the enamine-keto tautomeric form. The pyrazolone ring makes dihedral angles of 31.8 (2), 45.4 (2) and 71.2 (2) with the 1-phenyl, aniline and methylene-bound phenyl rings, respectively. An intramolecular N-HÁ Á ÁO hydrogen bond helps