Polymorphic structures of 3-phenyl-1-1,3-benzo-diazol-2(3)-one.

The polymorphic structures ( and ) of 3-phenyl-1-1,3-benzo-diazol-2(3)-one, CHNO, acquired from pentane diffusion into the solution in THF, are reported. The structures show negligible differences in bond distances and angles, but the C-N-C-C torsion angles between the backbone and the phenyl substituent, 123.02 (15)° for and 137.18 (11)° for , are different. Compound features a stronger C=O⋯H-N hydrogen bond than that in , while the structure of exhibits a stronger π-π inter-action than in , as confirmed by the shorter inter-centroid distance [3.3257 (8) Å in in comparison to 3.6862 (7) Å in ]. Overall, the supra-molecular inter-actions of and are distinct, presumably originating from the variation in the dihedral angle.