(1S,2S)-1-{2-[(4-Methoxybenzyl)oxy]ethyl}-2-methyl-3-butenyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
✍ Scribed by Meilert, Kai T. ;Clark, George R. ;Groutso, Tania ;Brimble, Margaret A.
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 157 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Single-crystal X-ray study T = 83 K Mean '(C±C) = 0.004 A Ê R factor = 0.041 wR factor = 0.092 Data-to-parameter ratio = 9.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
📜 SIMILAR VOLUMES
The title compound, C 14 H 13 NO 5 , exhibits a resonance-assisted hydrogen bond O-HÁ Á ÁO C [2.505 (4) A ˚], which leads to a lengthening of the carbonyl C O bond, a shortening of the C-OH bond and delocalization of the electron density within the dihydropyridine ring.
The crystal structure of the title compound, C 12 H 13 NO 3 S, is stabilized by intermolecular N-HÁ Á ÁO hydrogen bonds, which are formed between the NH groups and the sulfoxide O atoms.