The title compound, C 18 H 20 ClN 3 O 2 , is a potent new herbicide. X-ray analysis reveals that the benzene ring is twisted away from the isoxazole ring by 67.7 (1) . The crystal packing is stabilized by intermolecular N-HÁ Á ÁN and C-HÁ Á ÁO hydrogen bonds.
N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methyloxirane-2-carboxamide: a bicalutamide intermediate
✍ Scribed by Butcher, Ray J. ;Narasegowda, R. S. ;Yathirajan, H. S. ;Anilkumar, H. G. ;Mohan, B. M.
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 226 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 296 K Mean (C-C) = 0.004 A Disorder in main residue R factor = 0.065 wR factor = 0.175 Data-to-parameter ratio = 16.3 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 18 H 14 F 4 N 2 O 2 S, consists of molecules that pack in a linear hydrogen-bonded chain along the c axis. This hydrogen-bonding arrangement involves the hydroxy group and one of the sulfonyl O atoms.
In the title compound, C 13 H 12 F 3 N 5 O 2 , intramolecular N-HÁ Á ÁF, N-HÁ Á ÁN, C-HÁ Á ÁO and C-HÁ Á ÁN hydrogen bonds, andstacking interactions generate a columnar structure along the a axis.