In the title compound, C 19 H 18 ClN 3 O 5 S 2 , which is a representative of a class of inactive acetolactate synthase inhibitors, the dihedral angle between the two aromatic groups is 85.9 (1) .
Ethyl 3-{[(2-chlorophenyl)sulfonyl]imino}-2-{[(3,5-dimethoxyphenyl)amino]carbonyl}-3-(methylsulfanyl)propanoate
✍ Scribed by Kennard, Colin H. L. ;McFadden, Helen G. ;Byriel, Karl A.
- Publisher
- International Union of Crystallography
- Year
- 2003
- Tongue
- English
- Weight
- 314 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.010 A Ê Disorder in main residue R factor = 0.043 wR factor = 0.152 Data-to-parameter ratio = 14.9
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 = 273 K Mean '(C±C) = 0.003 A Ê R factor = 0.056 wR factor = 0.162 Data-to-parameter ratio = 15.3 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 = 100 K Mean (C-C) = 0.001 A R factor = 0.041 wR factor = 0.116 Data-to-parameter ratio = 45.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
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.
The title compound, C 26 H 30 O 7 , was obtained by the Grignard reaction of one molecule of 4-methoxybenzylmagnesium chloride with two molecules of 3,5-dimethoxybenzaldehyde. The two new chiral centers have the same absolute con®guration R (S), and the two hydroxyl groups, surrounded by the three b