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1-Benzyl-1H-benzotriazole 3-oxide-1-hy-droxy-1H-benzotriazole (1/1).

ABSTRACT: In the title compound, C(6)H(5)N(3)O·C(13)H(11)N(3)O, the benzo-triazole ring system in the 1-benzyl-1H-benzotriazole 3-oxide (A) mol-ecule 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-hy-droxy-benzotriazole (B) mol-ecule is also close to being planar (r.m.s. deviation = 0.010?Å). In the crystal, weak C-H?O and C-H?? inter-actions are present. The A and B molecules are linked by an O-H?N hydrogen bond.

SUBMITTER: Selvarathy Grace P

PROVIDER: S-EPMC3414323 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

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1-Benzyl-1H-benzotriazole 3-oxide-1-hy-droxy-1H-benzotriazole (1/1).

Selvarathy Grace P P Jebas Samuel Robinson SR Ravindran Durai Nayagam B B Schollmeyer Dieter D

Acta crystallographica. Section E, Structure reports online 20120710 Pt 8

In the title compound, C(6)H(5)N(3)O·C(13)H(11)N(3)O, the benzo-triazole ring system in the 1-benzyl-1H-benzotriazole 3-oxide (A) mol-ecule 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-hy-droxy-benzotriazole (B) mol-ecule is also close to being planar (r.m.s. deviation = 0.010 Å). In the crystal, weak C-H⋯O and C-H⋯π inter-actions are present. The A and B mo ...[more]

PMID: 22904856

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