Information card for entry 2203215

Structure parameters

• Chemical name: p-[p^'^-methylphenylazo]-o-allylphenol monohydrate
• Formula: C16 H18 N2 O2
• Calculated formula: C16 H18 N2 O2
• SMILES: C=CCc1cc(/N=N/c2ccc(cc2)C)ccc1O.O
• Title of publication: 4-(4-Methylphenylazo)-2-allylphenol monohydrate
• Authors of publication: Karadayı, Nevzat; Turgut, Günseli; Odabas̨oğlu, Mustafa; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: o176 - o178
• a: 27.2961 ± 0.0009 Å
• b: 14.4293 ± 0.0017 Å
• c: 7.568 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2980.8 ± 1.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.2183
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.1799
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes