Synthesis and Molecular Structure of tert-Butyl 3-oxo-2-oxa-5-azabicyclo[2.2.2]octane-5-carboxylate

Table 1

Crystallographic data.

Empirical formula	C11H17N1O4
Formula weight	227.26
Temperature	123 K
Wavelength	1.54187 Å
Crystal system	Monoclinic
Space group	P/c (no. 14)
Unit cell dimensions	= 10.217(2) Å
	= 11.676(3) Å
	= 10.273(2) Å
Volume	1117.9(4) Å^3
	4
Density (calculated)	1.350 g/cm^3
Absorption coefficient	0.857 mm^−1
(000)	488.00
Crystal size	0.300 × 0.250 × 0.100 mm
Theta range for data collection	3.79 to 68.26°
Index ranges
Reflections collected	13589
Independent reflections	2042 (int) = 0.0356
Reflections	1845
Completeness to theta = 68.26°	99.8%
Absorption correction	Empirical
Refinement method	Full-matrix least-squares on
Data/restraints/parameters	2042/0/148
Goodness-of-fit on	1.195
Final indices
indices (all data)
Largest diff. peak and hole	0.30 and