5-Methoxyspiro[1-benzofuran-2(3H),2′-chroman]
✍ Scribed by Clark, George R. ;Tsang, Kit Yee ;Brimble, Margaret A.
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 134 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.003 A Ê R factor = 0.036 wR factor = 0.104 Data-to-parameter ratio = 15.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The crystal structure of the title compound, C~14~H~10~N~2~O~5~·H~2~O, is stabilized by inversion-related O—H...O and C—H...O intermolecular hydrogen bonds and also by π–π interactions. The dihedral angle between the phthalide group and the benzene ring is 51.45 (8)°.
The title compound, C~14~H~10~O~5~, was isolated from __Senecio cannabifolius__ Less var. __integrifolius__ aqueous extract. The structure was elucidated on the basis of spectroscopic data, including MS, ^1^H NMR and ^13^C NMR, and the relative configuration was confirmed by X-ray crystallographic a
## 3-(3-Methoxybenzoyl 6,6-trimethyl-4,5,6,7-tetrahydrospiro[benzo[b] furan-2(3H),3 0 0 0 (2 0 0 0 H)-1H-indole]-4,2 0 0 0 -dione