Information card for entry 2212197

Structure parameters

• Common name: daab
• Chemical name: 2,2'-diaminoazobenzene
• Formula: C12 H12 N4
• Calculated formula: C12 H12 N4
• SMILES: Nc1ccccc1/N=N/c1ccccc1N
• Title of publication: <i>trans</i>-Bis(2-aminophenyl)diazene
• Authors of publication: Bohle, D. Scott; Dorans, Kirsten S.; Fotie, Jean
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o889 - o890
• a: 22.278 ± 0.006 Å
• b: 5.8647 ± 0.0016 Å
• c: 8.254 ± 0.002 Å
• α: 90°
• β: 106.357 ± 0.003°
• γ: 90°
• Cell volume: 1034.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes