Crystal structure of benzyl 3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate

Abstract

The title compound, C13H13NO4 (also known as N-benzyloxycarbonyl-4-hydroxy-l-proline lactone), crystallizes with two molecules in the asymmetric unit. They have slightly different conformations: the fused ring systems almost overlap, but different C—O—C—C torsion angles for the central chains of −155.5 (2) and −178.6 (2)° lead to different twists for the terminal benzene ring. In the crystal, the molecules are linked by C—H...O interactions, generating a three-dimensional network. The absolute structure was established based on an unchanging chiral centre in the synthesis.

Keywords

• crystal structure
• 4-hydroxyproline
• C—H...O interactions