CRYSTAL STRUCTURE OF 5,6,8,12b-TETRAHYDRODIOXOLO[4,5-g]ISOINDOLO[1,2-a]ISOQUINOLIN-8-ONE (C17H13NO3)

Abstract

The title compound was prepared by cyclization of 2-(3,4-methylenedioxyphenyl)ethyl-3-hydroxyisoindolin-1-one in concentrated hydrochloric acid. The compound crystallizes in the orthorhombic space group Pca21 (No. 29) with a = 27.034(5) Å, b = 4.5093(9) Å, c = 10.667(2)Å, V = 1300.4(4) Å3 and Z = 4. The crystal consists of a single enantiomer. The molecule consists of two essentially flat moieties forming an dihedral angle of 116.3(2)º. The crystal structure has intermolecular C-H⋅⋅⋅O interactions resulting in chains that run along the crystallographic c-axis.