Information card for entry 2236670

Structure parameters

• Common name: 2,2'-Diiodoazobenzene
• Chemical name: (<i>E</i>)-bis(2-iodophenyl)diazene
• Formula: C12 H8 I2 N2
• Calculated formula: C12 H8 I2 N2
• SMILES: c1(c(cccc1)I)/N=N/c1c(cccc1)I
• Title of publication: 2,2'-Diiodoazobenzene
• Authors of publication: Elder, Philip J. W.; Vargas-Baca, Ignacio
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3127
• a: 4.6306 ± 0.0003 Å
• b: 18.1105 ± 0.0012 Å
• c: 15.3748 ± 0.001 Å
• α: 90°
• β: 98.532 ± 0.001°
• γ: 90°
• Cell volume: 1275.1 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes