Crystal structure of 2-(1,3-dioxoindan-2-yl)isoquinoline-1,3,4-trione

Abstract

In the title isoquinoline-1,3,4-trione derivative, C18H9NO5, the five-membered ring of the indane fragment adopts an envelope conformation with the nitrogen-substituted C atom being the flap. The planes of the indane benzene ring and the isoquinoline-1,3,4-trione ring make a dihedral angle of 82.06 (6)°. In the crystal, molecules are linked into chains extending along the bc plane via C—H...O hydrogen-bonding interactions, enclosing R22(8) and R22(10) loops. The chains are further connected by π–π stacking interations, with centroid-to-centroid distances of 3.9050 (7) Å, forming layers parallel to the b axis.

Keywords

• crystal structure
• isoquinoline-1,3,4-trione derivative
• synthesis
• hydrogen bonding
• pharmacological properties