title: 1,3,5-Tris(bromomethyl)benzene.
abstract: The asymmetric unit of the title compound, C(9)H(9)Br(3), is composed of a single molecule. Two bromo substituents are located on one side of the plane of the aromatic ring and the third is on the opposite side, with the molecular unit exhibiting an approximate noncrystallographic C(s) point group. The crystal structure is rich in Br...Br, CH(2)···Br and CH···π weak intermolecular contacts which mediate the crystal packing of individual molecules. These interactions promote a red-shift of a handful of vibrational modes (associated with the pendant -CH(2)Br groups) compared with values from theoretical density functional theory (DFT) calculations.
authors.affiliation: Department of Chemistry, University of Aveiro, CICECO, 3810-193 Aveiro, Portugal.
authors.forename: José A
authors.initials: JA
authors.lastname: Fernandes
authors.forename: Sérgio M F
authors.initials: SM
authors.lastname: Vilela
authors.forename: Paulo J A
authors.initials: PJ
authors.lastname: Ribeiro-Claro
authors.forename: Filipe A
authors.initials: FA
authors.lastname: Almeida Paz