Information card for entry 2235488

Structure parameters

• Common name: 1-(benzyloxy)-1H-benzotriazole
• Chemical name: 1-Benzyloxy-1<i>H</i>-benzotriazole
• Formula: C13 H11 N3 O
• Calculated formula: C13 H11 N3 O
• SMILES: n1(nnc2ccccc12)OCc1ccccc1
• Title of publication: 1-Benzyloxy-1<i>H</i>-benzotriazole
• Authors of publication: Jebas, Samuel Robinson; Selvarathy Grace, P.; Ravindran Durai Nayagam, B.; Schollmeyer, Dieter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2239
• a: 11.2417 ± 0.0005 Å
• b: 7.8381 ± 0.0008 Å
• c: 25.3933 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2237.5 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes