Abstract
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—H⋯π(arene) interactions and weak π–π stacking interactions, with a centroid–centroid distance of 3.673 (11) Å.
Highlights
In the title compound, C13H11N3, the benzotriazole ring system is essentially planar, with a maximum deviation of
Benzotriazole possessing three vicinal N atoms, is used as an antifouling and antiwear reagent (Sha et al, 1996). These applications of benzotriazole compounds prompted us to synthesize the title compound and we report the crystal structure
The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry
Summary
Absorption correction: scan (CORINC; Dräger & Gattow, 1971; Wiehl & Schollmeyer, 1994). R factor = 0.055; wR factor = 0.138; data-to-parameter ratio = 13.9. Cg is the centroid of the C4–C9 ring. 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. Pairs of weak C—H N hydrogen bonds form inversion dimers. There are weak C—H (arene) interactions and weak – stacking interactions, with a centroid–centroid distance of 3.673 (11) Å
Sign-in/Register to view highlights & summary 
Published Version (
Free)
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call