Information card for entry 2014264

Structure parameters

• Chemical name: 2,6-Dimethyl-4-(phenyldiazenyl)phenol
• Formula: C14 H14 N2 O
• Calculated formula: C14 H14 N2 O
• SMILES: Oc1c(cc(N=Nc2ccccc2)cc1C)C
• Title of publication: 2,6-Dimethyl-4-(phenyldiazenyl)phenol
• Authors of publication: Soylu, Serkan; Kocaokutgen, Hasan; Gür, Mahmut; Lörnnecke, Peter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: o498 - o500
• a: 11.1447 ± 0.0016 Å
• b: 10.7602 ± 0.0014 Å
• c: 10.5103 ± 0.0015 Å
• α: 90°
• β: 106.775 ± 0.002°
• γ: 90°
• Cell volume: 1206.8 ± 0.3 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 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: 0.1003
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes