The title compound, C 20 H 19 F 3 N 2 O 4 , crystallizes with two molecules in the asymmetric unit. The important characteristics of the molecule are the two C N bonds in Z,E configuration, one in the -methoxy-system and the other in the oxymethyl side chain between the two aromatic rings.
Methyl (Z,Z)-α-(methoxyimino)-2-[({1-[3-(trifluoromethyl)phenyl]ethylidene}amino)oxymethyl]benzeneacetate
✍ Scribed by Banerjee, Kaushik ;Ligon, Axel Patrick ;Schürmann, Markus ;Preut, Hans ;Spiteller, Michael
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 228 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Single-crystal X-ray study T = 291 K Mean '(C±C) = 0.004 A Ê Disorder in main residue R factor = 0.034 wR factor = 0.069 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.
📜 SIMILAR VOLUMES
In the title compound, C 28 H 27 N 3 O 3 , the pyrazolone ring and the N atom of the 2-amino-3-phenylpropanoate group are essentially coplanar. The compound is in an enamine-keto form and its structure is stabilized by one strong intramolecular N-HÁ Á ÁO hydrogen bond.
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.003 A Ê R factor = 0.056 wR factor = 0.162 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.