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Crystal structure of 5-benzyl-8-bromo-2-meth-yl-1,3-oxazolo[4,5-c][1,8]naphthyridin-4(5H)-one.

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?Å) makes a dihedral angle of 61.6?(2)° with the phenyl ring. In the crystal, columns of mol-ecules stacked along the a axis are formed by ?-? inter-actions between the six-membered rings of the oxazolonaphthyridone moieties [centroid-to-centroid distances = 3.494?(2)-3.906?(3)?Å], which further inter-act through C-H?? contacts with the phenyl rings.

SUBMITTER: Vrijdag J

PROVIDER: S-EPMC5418784 | biostudies-literature | 2017 May

REPOSITORIES: biostudies-literature

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Crystal structure of 5-benzyl-8-bromo-2-meth-yl-1,3-oxazolo[4,5-c][1,8]naphthyridin-4(5H)-one.

Vrijdag Johannes J Van den Bogaert An A De Borggraeve Wim W Van Meervelt Luc L

Acta crystallographica. Section E, Crystallographic communications 20170411 Pt 5

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 Å) makes a dihedral angle of 61.6 (2)° with the phenyl ring. In the crystal, columns of mol-ecules stacked along the a axis are formed by π-π inter-actions between the six-membered rings of the oxazolonaphth ...[more]

PMID: 28529776

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