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1-Benzyl-1H-benzotriazole 3-oxide monohydrate

In the title hydrate, C(13)H(11)N(3)O·H(2)O, 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...

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Detalles Bibliográficos
Autores principales: Selvarathy Grace, P., Jebas, Samuel Robinson, Ravindran Durai Nayagam, B., Schollmeyer, Dieter
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588841/
https://www.ncbi.nlm.nih.gov/pubmed/23468806
http://dx.doi.org/10.1107/S1600536812044868
Descripción
Sumario:In the title hydrate, C(13)H(11)N(3)O·H(2)O, 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—H⋯O hydrogen bonds. The chains are consolidated into a three-dimensional architecture by C—H⋯O, C—H⋯π and π–π [centroid–centroid distance between the five- and six-membered rings of the benzotriazole ring system = 3.595 (3) Å] inter­actions.