1,3,5-Tris(bromomethyl)benzene

authors	Fernandes, JA; Vilela, SMF; Ribeiro-Claro, PJA; Paz, FAA
nationality	International
journal	ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS
keywords	POLYMERS
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 center dot center dot center dot Br, CH(2)center dot center dot center dot Br and CH center dot center dot center dot pi 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.
publisher	WILEY-BLACKWELL
issn	0108-2701
year published	2011
volume	67
beginning page	O198
ending page	O200
digital object identifier (doi)	10.1107/S0108270111013618
web of science category	Chemistry, Multidisciplinary; Crystallography
subject category	Chemistry; Crystallography
unique article identifier	WOS:000291204500014