Crystal structure of 3-(2,2-dibromoacetyl)-4-hydroxy-2H-chromen-2-one

Abstract

The title compound, C11H6Br2O4, is a new coumarin derivative obtained from the reaction of 3-acetyl-4-hydroxy-2H-chromen-2-one with bromine in acetic acid. The hydroxyl group in involved in an intramolecular O—H...O hydrogen bond. In the crystal, π–π interactions between the rings of the bicycle [intercentroid distances = 3.498 (2) and 3.539 (2) Å] pack molecules into stacks along the b axis, and weak intermolecular C—H...O hydrogen bonds further link these stacks into layers parallel to the ab plane.

Keywords

• crystal structure
• coumarin derivatives
• dibromation
• hydrogen bonding
• π–π interactions