| Literature DB >> 17609568 |
Abstract
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).Entities:
Year: 2007 PMID: 17609568 DOI: 10.1107/S0108270107013868
Source DB: PubMed Journal: Acta Crystallogr C ISSN: 0108-2701 Impact factor: 1.172