Information card for entry 2007526

Structure parameters

• Formula: C17 H19 Cl N2 O
• Calculated formula: C17 H19 Cl N2 O
• SMILES: Clc1c(/N=N/c2c(O)c(cc(c2)C)C(C)(C)C)cccc1
• Title of publication: 3-<i>tert</i>-Butyl-2'-chloro-2-hydroxy-5-methylazobenzene
• Authors of publication: Işik, Şamil; Aygün, Muhittin; Kocaokutgen, Hasan; Tahir, M. Nawaz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1145 - 1146
• a: 7.161 ± 0.0001 Å
• b: 9.445 ± 0.002 Å
• c: 12.479 ± 0.003 Å
• α: 80.63 ± 0.002°
• β: 72.441 ± 0.003°
• γ: 83.272 ± 0.002°
• Cell volume: 791.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections: 0.14
• Weighted residual factors for significantly intense reflections: 0.131
• Goodness-of-fit parameter for all reflections: 1.097
• Goodness-of-fit parameter for significantly intense reflections: 1.195
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No