Crystal structure of 2-[(3-oxo-1,3-dihydro-2-benzofuran-5-yl)methyl]- 1H-isoindole-1,3(2H)-dione, C17H11NO4
✍ Scribed by Wang, Jun-Yan; Johnson, Dave M.; Broker, Grant A.; Tiekink, Edward R. T.
- Book ID
- 126272135
- Publisher
- Oldenbourg Wissenschaftsverlag
- Year
- 2007
- Tongue
- English
- Weight
- 99 KB
- Volume
- 222
- Category
- Article
- ISSN
- 1433-7266
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The title compound, C 14 H 17 NO 3 , exhibits carboxylic acid group disorder about the C-CO 2 axis, with site occupancies of 0.79 (5):0.21 (5). Molecules are linked by intermolecular O-HÁ Á ÁO C iso , C-HÁ Á ÁO C iso and C-HÁ Á Á(arene) interactions (iso = isoindolinone).
Single-crystal X-ray study T = 294 K Mean (C-C) = 0.003 A R factor = 0.044 wR factor = 0.115 Data-to-parameter ratio = 14.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the title compound, C 17 H 13 Br 2 NO 3 , the dihedral angle between the benzene ring and the isoindole system is 71.3 (2) . The crystal structure is stabilized by a C-HÁ Á ÁO hydrogen bond and ainteraction.