Crystal structure of 4-bromo-5,7-dimeth-oxy-2,3-di-hydro-1 H-inden-1-one

Acta Crystallogr E Crystallogr Commun. 2024 Jul 19;80(Pt 8):873-877. doi: 10.1107/S2056989024006522. eCollection 2024 Aug 1.

Abstract

In the title mol-ecule, C11H11BrO3, the di-hydro-indene moiety is essentially planar but with a slight twist in the saturated portion of the five-membered ring. The meth-oxy groups lie close to the above plane. In the crystal, π-stacking inter-actions between six-membered rings form stacks of mol-ecules 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 inter-molecular inter-actions in the crystal.

Keywords: crystal structure; di­hydro­indenone; hydrogen bond; π-stacking.