Single-crystal X-ray study T = 298 K Mean '(C±C) = 0.004 A Ê R factor = 0.041 wR factor = 0.118 Data-to-parameter ratio = 14.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
2-(3-Methyl-1,2-butadienyl)-2-oxo-1,3,2-oxazaphosphorinane
✍ Scribed by Angelov, Christo M. ;Mazzuca, Dean A. ;Heever, Johan P. van den ;McDonald, Robert ;McEwen, Alexander J. B. ;Mercer, John R.
- Publisher
- International Union of Crystallography
- Year
- 2002
- Tongue
- English
- Weight
- 252 KB
- Volume
- 58
- Category
- Article
- ISSN
- 1600-5368
No coin nor oath required. For personal study only.
✦ Synopsis
The structure of the title compound, C 8 H 14 NO 2 P, the ®rst of a compound containing a 1,2-butadienyl group bound to the phosphorus of a 1,3,2-oxazaphosphorinane ring, is reported.
Experimental
Compound (2) was recrystallized from THF to give light-yellow crystals, with m.p. 383 K; 31 P NMR (CDCl 3 , versus ext. 85% H 3 PO 4 ) 15.5.
📜 SIMILAR VOLUMES
In the title compound, C 17 H 19 N 2 O 2 PS 2 , the ®ve-membered phosphorus heterocycle has an envelope conformation. The carbamide moiety is involved in an NÐHÁ Á ÁS intramolecular hydrogen bond. The existence of a d±p % bond between the P atom and the adjacent N atom is observed.