In the title compound, C18H21BrO3, which represents an isophorone (3,5,5-trimethyl-2-cyclo-hexen-1-one) derivative, the cyclo-hexene ring adopts a twist-boat conformation. An intra-molecular C-H⋯Br hydrogen bond between a methine H atom and the Br substituent at the phenyl ring leads to the stabilization of the mol-ecular conformation. Inter-molecular C-H⋯O hydrogen bonds as well as π-π inter-actions are observed in the crystal. The inter-molecular inter-actions were qu-anti-fied and analysed using Hirshfeld surface analysis, revealing that H⋯H inter-actions contribute most (46.9%) to the crystal packing.
Keywords: Hirshfeld surface analysis; crystal structure; cyclohexene derivatives; intermolecular hydrogen bonds.
© Rajkumar et al. 2025.