Research Article: (5R)-3-(2-Chloro­acet­yl)-4-methyl-5-phenyl-1,3,4-oxadiazinan-2-one

Date Published: July 01, 2011

Publisher: International Union of Crystallography

Author(s): Ignez Caracelli, Daniel C. S. Coelho, Paulo R. Olivato, Alessandro Rodrigues, Edward R. T. Tiekink.

http://doi.org/10.1107/S1600536811020356

Abstract

The 1,3,4-oxadiazinan-2-one ring in the title compound, C12H13ClN2O3, is in a distorted half-chair conformation. The phenyl and chloro­acetyl groups occupy axial and equatorial positions, respectively, and lie to the opposite side of the mol­ecule to the N-bound methyl substituent. Mol­ecules are consolidated in the crystal structure by C—H⋯O inter­actions.

Partial Text

For background to 1,3,4-oxadiazin-2-ones, see: Trepanier et al. (1968 ▶); Roussi et al. (1998 ▶, 1999 ▶, 2000 ▶); Casper et al. (2002a ▶,b ▶); Bonin et al. (2006 ▶). For a related structure, see: Zukerman-Schpector et al. (2009 ▶). For the synthesis, see: Rodrigues et al. (2005 ▶). For conformational analysis, see: Cremer & Pople (1975 ▶).

 

Source:

http://doi.org/10.1107/S1600536811020356

 

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