Crystal structure of 4-bromo-5,7-dimethoxy-2,3-dihydro-1H-inden-1-one

Abstract

In the title molecule, C11H11BrO3, the dihydroindene moiety is essentially planar but with a slight twist in the saturated portion of the five-membered ring. The methoxy groups lie close to the above plane. In the crystal, π-stacking interactions between six-membered rings form stacks of molecules extending along the a-axis direction, which are linked by weak C—H...O and C—H...Br hydrogen bonds. A Hirshfeld surface analysis was performed showing H...H, O...H/H...O and Br...H/H...Br contacts make the largest contributions to intermolecular interactions in the crystal.

Keywords

• crystal structure
• dihydroindenone
• hydrogen bond
• π-stacking