Short intermolecular N-Br...O=C contacts in 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione.
In the title compound, C(5)H(6)Br(2)N(2)O(2), all atoms except for the methyl group lie on a mirror plane in the space group Pnma (No. 62). All bond lengths are normal and the five-membered ring is planar by symmetry. Two short intermolecular N-Br...O=C contacts [Br...O = 2.787 (2) and 2.8431 (19) Angstrom] are present, originating primarily from the O-atom lone pairs donating electron density to the antibonding orbitals of the N-Br bonds (delocalization energy transfers 3.27 and 2.11 kcal mol(-1)). The total stabilization energies of the Br...O interactions are 3.4828 and 2.3504 kcal mol(-1).
Kruszynski
Rafal
R
Institute of General and Ecological Chemistry, Technical University of Łódź, ul. Zeromskiego 116, 90-924 Łódź, Poland. rafal.kruszynski@p.lodz.pl