Information card for entry 2207002

Structure parameters

• Chemical name: 2-Acetyl-4-(4-ethoxyphenyldiazenyl)phenol
• Formula: C16 H16 N2 O3
• Calculated formula: C16 H16 N2 O3
• SMILES: c1(ccc(cc1)OCC)N=Nc1ccc(c(c1)C(=O)C)O
• Title of publication: 2-Acetyl-4-(4-ethoxyphenyldiazenyl)phenol
• Authors of publication: Deveci, Özlem; Işık, Şamil; Albayrak, Çiǧdem; Ağar, Erbil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3226 - o3227
• a: 7.2099 ± 0.0005 Å
• b: 13.6448 ± 0.0009 Å
• c: 29.631 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2915 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1385
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes