Information card for entry 2225171

Structure parameters

• Chemical name: (<i>E</i>)-2-Acetyl-4-[(3-methylphenyl)diazenyl]phenol
• Formula: C15 H14 N2 O2
• Calculated formula: C15 H14 N2 O2
• SMILES: c1(cc(c(cc1)O)C(=O)C)/N=N/c1cccc(c1)C
• Title of publication: (<i>E</i>)-2-Acetyl-4-[(3-methylphenyl)diazenyl]phenol: an X-ray and DFT study
• Authors of publication: Yazıcı, Serap; Albayrak, Çiğdem; Gümrükçüoğlu, İsmail; Şenel, İsmet; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o559 - o560
• a: 8.6917 ± 0.0003 Å
• b: 10.9728 ± 0.0003 Å
• c: 14.615 ± 0.0005 Å
• α: 90°
• β: 112.881 ± 0.003°
• γ: 90°
• Cell volume: 1284.19 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0731
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes