Information card for entry 2221256

Structure parameters

• Chemical name: 1-(2,3,5,6-Tetramethylbenzyloxy)-1<i>H</i>-benzotriazole
• Formula: C17 H19 N3 O
• Calculated formula: C17 H19 N3 O
• SMILES: n1(nnc2ccccc12)OCc1c(c(cc(c1C)C)C)C
• Title of publication: 1-(2,3,5,6-Tetramethylbenzyloxy)-1<i>H</i>-benzotriazole
• Authors of publication: Ravindran Durai Nayagam, B.; Jebas, Samuel Robinson; Edward Rajkumar, J. P; Schollmeyer, Dieter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o917
• a: 4.9737 ± 0.0008 Å
• b: 26.3838 ± 0.0018 Å
• c: 11.49 ± 0.002 Å
• α: 90°
• β: 105.977 ± 0.007°
• γ: 90°
• Cell volume: 1449.5 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes