Information card for entry 2202526

Structure parameters

• Common name: 2-Hydroxy-3-tert-butyl-5-methylazobenzene
• Chemical name: 2-tert-butyl-4-metyl-6-(phenyldiazenyl)phenol
• Formula: C17 H20 N2 O
• Calculated formula: C17 H20 N2 O
• SMILES: Oc1c(/N=N/c2ccccc2)cc(cc1C(C)(C)C)C
• Title of publication: 2-<i>tert</i>-Butyl-4-methyl-6-(phenyldiazenyl)phenol
• Authors of publication: Kocaokutgen, Hasan; Soylu, M. Serkan; Lörnecke, Peter; Özkınalı, Sevil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o1932 - o1934
• a: 6.2333 ± 0.0007 Å
• b: 10.4182 ± 0.0012 Å
• c: 22.788 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1479.8 ± 0.3 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No