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Published 1970 | public
Journal Article

Comparison of the conformation in the crystal and in solution of 1-(nitromethyl)-3-phenylphthalan

Abstract

In connection with the stereochemical problem posed by 1, 3-disubstituted phthalans, we have determined the crystal structure of trans-1-(nitromethyl)-3_phenylphthalan, I (2). In the crystal, the dihedral angle between the C-H_X and the C-NO_2 bonds is found to be 90" with the nitro group oriented away from the phthalan part of the molecule. It is of special interest to determine whether the same conformation is also favored in solution and to this end we have analyzed the proton magnetic resonance spectra of I in CDCl_3.

Additional Information

© 1970 Pergamon Press. Received in USA 12 March 1970; received in UK for publication 6 April 1970. The work carried on at the California Institute of Technology was supported by the National Science Foundation.

Additional details

Created:
August 19, 2023
Modified:
October 25, 2023