Information card for entry 2214941

Structure parameters

• Common name: 3-methyl-4-hydroxy-4'-propylazobenzene
• Chemical name: (<i>E</i>)-2-Methyl-4-[(4-propylphenyl)diazenyl]phenol
• Formula: C16 H18 N2 O
• Calculated formula: C16 H18 N2 O
• SMILES: CCCc1ccc(cc1)/N=N/c1ccc(c(c1)C)O
• Title of publication: (<i>E</i>)-2-Methyl-4-[(4-propylphenyl)diazenyl]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: 9
• Pages of publication: o3733 - o3733
• a: 9.9032 ± 0.0007 Å
• b: 12.0663 ± 0.0008 Å
• c: 23.984 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2866 ± 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: 0.1162
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1767
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes