Information card for entry 2217795

Structure parameters

• Chemical name: 4-(4-Hydroxyphenyldiazenyl)benzonitrile
• Formula: C13 H9 N3 O
• Calculated formula: C13 H9 N3 O
• SMILES: N(=Nc1ccc(C#N)cc1)c1ccc(O)cc1
• Title of publication: 4-(4-Hydroxyphenyldiazenyl)benzonitrile
• Authors of publication: Zhang, Chao Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o618
• a: 6.5307 ± 0.0013 Å
• b: 10.747 ± 0.002 Å
• c: 15.851 ± 0.003 Å
• α: 90°
• β: 93.54 ± 0.03°
• γ: 90°
• Cell volume: 1110.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1063
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes