Short intermolecular N—Br...O=C contacts in 1,3‐dibromo‐5,5‐dimethylimidazolidine‐2,4‐dione |
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Authors: | Rafal Kruszynski |
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Abstract: | In the title compound, C5H6Br2N2O2, 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) Å] 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. |
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