Author:

Keywords:

crystal structure, benzodiazepine drugs, oxazolonaphthyridone, pi-pi stacking, Science & Technology, Physical Sciences, Crystallography, π–π stacking, 34 Chemical sciences

Abstract:

The title compound, C17H12BrN3O2, was unexpectedly isolated during an attempt to synthesize pyridodiazepinediones and identified as an oxazolonaphthyridinone derivative. The almost planar oxazolonaphthyridinone ring (r.m.s. deviation = 0.016 angstrom) makes a dihedral angle of 61.6 (2)degrees with the phenyl ring. In the crystal, columns of molecules stacked along the a axis are formed by pi-pi interactions between the six-membered rings of the oxazolonaphthyridone moieties [centroid-to-centroid distances = 3.494 (2)-3.906 (3) angstrom], which further interact through C-H center dot center dot center dot pi contacts with the phenyl rings.