Information card for entry 2218305

Structure parameters

• Chemical name: 4-(4-Ethylphenyldiazenyl)phenol
• Formula: C14 H14 N2 O
• Calculated formula: C14 H14 N2 O
• SMILES: Oc1ccc(N=Nc2ccc(cc2)CC)cc1
• Title of publication: 4-(4-Ethylphenyldiazenyl)phenol
• Authors of publication: Wit, Joost de; Alberda van Ekenstein, Gert O. R.; Brinke, Gerrit ten; Meetsma, Auke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1048
• a: 7.5261 ± 0.0009 Å
• b: 13.4298 ± 0.0015 Å
• c: 11.6412 ± 0.0013 Å
• α: 90°
• β: 97.4001 ± 0.0015°
• γ: 90°
• Cell volume: 1166.8 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0516
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes