Information card for entry 2206313

Structure parameters

• Chemical name: 4-(N-Phenylazo)aminobenzaldehyde
• Formula: C13 H11 N3 O
• Calculated formula: C13 H11 N3 O
• SMILES: N(N=Nc1ccccc1)c1ccc(C=O)cc1
• Title of publication: 4-[(Phenyldiazenyl)amino]benzaldehyde
• Authors of publication: Liu, Xin-Gang; Feng, Ya-Qing; Liu, Dong-Qing; Zhao, Yao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2185 - o2186
• a: 4.9916 ± 0.0009 Å
• b: 6.2388 ± 0.0011 Å
• c: 37.342 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1162.9 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes