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In the title compound, C13H11N3, the benzotriazole ring system is essentially planar, with a maximum deviation of 0.0173 (18) Å, and forms a dihedral angle of 75.08 (8)Å with the phenyl ring. In the crystal, pairs of weak C—H
N hydrogen bonds form inversion dimers. In addition, there are weak C—Hπ(arene) interactions and weak π–π stacking interactions, with a centroid–centroid distance of 3.673 (11) Å.
N hydrogen bonds form inversion dimers. In addition, there are weak C—Hπ(arene) interactions and weak π–π stacking interactions, with a centroid–centroid distance of 3.673 (11) Å.organic compoundsOpen access
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In the title compound, C13H11N3O, the dihedral angle between the benzotriazole ring system [maximum deviation = 0.027 (16) Å] and the benzene ring is 10.28 (9)°. The C—C—O—N bond adopts an anti conformation [torsion angle = −177.11 (16)°]. In the crystal, the molecules interact via weak C—Hπ interactions and aromatic π–π stacking [centroid-to-centroid distance = 3.731 (12) Å].
π interactions and aromatic π–π stacking [centroid-to-centroid distance = 3.731 (12) Å].organic compoundsOpen access
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In the title compound, C6H5N3O·C13H11N3O, the benzotriazole ring system in the 1-benzyl-1H-benzotriazole 3-oxide (A) molecule is close to being planar (r.m.s. deviation = 0.011 Å); its mean plane forms a dihedral angle of 67.56 (7)° with that of the attached phenyl ring. The benzotriazole ring system in the 1-hydroxybenzotriazole (B) molecule is also close to being planar (r.m.s. deviation = 0.010 Å). In the crystal, weak C—HO and C—Hπ interactions are present. The A and B molecules are linked by an O—HN hydrogen bond.
O and C—Hπ interactions are present. The A and B molecules are linked by an O—HN hydrogen bond.organic compoundsOpen access
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In the title hydrate, C13H11N3O·H2O, the benzotriazole ring system is planar (r.m.s. deviation = 0.007 Å) and is almost orthogonal to the phenyl ring to which it is linked by a methylene group, forming a dihedral angle of 81.87 (15)°. In the crystal, molecules are linked into chains along [001] by O—HO hydrogen bonds. The chains are consolidated into a three-dimensional architecture by C—HO, C—Hπ and π–π [centroid–centroid distance between the five- and six-membered rings of the benzotriazole ring system = 3.595 (3) Å] interactions.
O hydrogen bonds. The chains are consolidated into a three-dimensional architecture by C—HO, C—Hπ and π–π [centroid–centroid distance between the five- and six-membered rings of the benzotriazole ring system = 3.595 (3) Å] interactions.
