Information card for entry 2231678

Structure parameters

• Chemical name: (<i>E</i>)-1-(2-Iodophenyl)-2-phenyldiazene
• Formula: C12 H9 I N2
• Calculated formula: C12 H9 I N2
• SMILES: c1cc(c(cc1)/N=N/c1ccccc1)I
• Title of publication: (<i>E</i>)-1-(2-Iodophenyl)-2-phenyldiazene
• Authors of publication: Wragg, David S.; Ahmed, Mohammed A. K.; Nilsen, Ola; Fjellvåg, Helmer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2326
• a: 4.628 ± 0.003 Å
• b: 12.801 ± 0.009 Å
• c: 18.312 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1084.9 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0299
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes