Molecules of the title compound, C 27 H 23 N 3 O 2 , contain four rings that are not coplanar and the pyrimidine ring is slightly distorted from planarity. The dihedral angles between pairs of benzene rings are 88.6 (1), 88.6 (1) and 62.9 (1) . The three benzene rings form dihedral angles of 55.3 (1
2-(Adamantan-1-yl)-5-methylbenzo[d][1,3]oxazin-4-one
✍ Scribed by Crane, Jonathan D ;Rogerson, Eleanor
- Book ID
- 104481737
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 290 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
At 150 K, the benzo [d][1,3]oxazin-4-one heterocycle in the title compound, C 19 H 21 NO 2 , lies on a crystallographic mirror plane. This group is planar despite the resulting unfavourable steric interaction between the proximal 5-methyl and 4carbonyl groups.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 292 K Mean (C-C) = 0.004 A Disorder in main residue R factor = 0.043 wR factor = 0.115 Data-to-parameter ratio = 14.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The title compound, C 20 H 14 N 4 O 2 Á3C 5 H 9 NO, crystallizes with three molecules of 1-methyl-2-pyrrolidinone. The amino groups at each end of the fused-ring heterocycle each interact with two of the solvent molecules.