2-(1,3-Dioxo-4,5,6,7-tetrahydro-1H-isoindol-2-yl)-N-[7-fluoro-3-oxo-4-(prop-2-ynyl)-3,4-dihydro-2H-benzoxazin-6-yl]acetamide monohydrate
✍ Scribed by Min, Zhong-Cheng ;Huang, Ming-Zhi ;Chen, Wei-Min ;Zhang, Quan ;Yang, Guang-Fu
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 258 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.005 A Ê R factor = 0.054 wR factor = 0.137 Data-to-parameter ratio = 12.5 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The molecular structure of (I), with displacement ellipsoids drawn at the 30% probability level.
In the molecule of the title compound, C 23 H 20 ClFN 2 O 4 , the cyclohexene ring is not planar and has a flattened boat conformation. Intermolecular C-HÁ Á ÁO hydrogen bonds, linking the independent molecules into dimers, may be effective in the stabilization of the crystal structure.
In the title compound, C 19 H 15 FI 2 N 2 O 4 , the cyclohexene and morpholinone rings adopt half-chair conformations. The dihedral angle between the benzene and pyrrole rings is 69.0 (2) . The crystal packing is stabilized by C-HÁ Á ÁO and C-HÁ Á ÁF hydrogen bonds. ## Related literature For gene