Information card for entry 2011859

Structure parameters

• Chemical name: trans-1-(4-aminophenyl)-2-phenyldiazene 2-oxide
• Formula: C12 H11 N3 O
• Calculated formula: C12 H11 N3 O
• SMILES: O=N(=Nc1ccc(N)cc1)c1ccccc1
• Title of publication: Two <i>trans</i>-4-aminoazoxybenzenes
• Authors of publication: Domański, Andrzej; Ejsmont, Krzysztof; Kyzioł, Janusz B.; Zaleski, Jacek
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: 467 - 470
• a: 5.733 ± 0.001 Å
• b: 11.602 ± 0.002 Å
• c: 16.038 ± 0.003 Å
• α: 90°
• β: 93.16 ± 0.03°
• γ: 90°
• Cell volume: 1065.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes