Information card for entry 2214727

Structure parameters

• Common name: 3-methyl-4-hydroxyazobenzene
• Chemical name: (E)-2-Methyl-4-(phenyldiazenyl)phenol
• Formula: C13 H12 N2 O
• Calculated formula: C13 H12 N2 O
• SMILES: Oc1ccc(cc1C)/N=N/c1ccccc1
• Title of publication: (<i>E</i>)-2-Methyl-4-(phenyldiazenyl)phenol
• Authors of publication: Albayrak, Çiğdem; Gümrükçüoğlu, İsmail Erdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3662 - o3663
• a: 9.0537 ± 0.0006 Å
• b: 10.5716 ± 0.0009 Å
• c: 12.0287 ± 0.0007 Å
• α: 90°
• β: 108.952 ± 0.004°
• γ: 90°
• Cell volume: 1088.88 ± 0.14 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0734
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes