Electronic effects on crown ether conformation. X-ray crystal structure and 13C NMR study in solution and the solid phase of 4-nitrobenzo-9-crown-3 ether

Abstract

The X-ray crystal structure of the title material has been determined and the results are compared to previous findings for benzo-9-crown-3 itself. The 13C NMR spectrum in solution has been unambiguously assigned using COSY and HETCOR methods. The solid phase 13C spectrum has been obtained and the 7, 10-d4 derivative has been examined to aid in spectral assignments.