Information card for entry 2010218

Structure parameters

• Chemical name: trans-p,p-dibromoazobenzene
• Formula: C12 H8 Br2 N2
• Calculated formula: C12 H8 Br2 N2
• SMILES: Brc1ccc(cc1)/N=N/c1ccc(cc1)Br
• Title of publication: A novel modification of <i>trans</i>-<i>p</i>,<i>p</i>'-dibromoazobenzene
• Authors of publication: Howard, Judith A.K.; Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 1818 - 1819
• a: 10.1046 ± 0.0014 Å
• b: 4.7565 ± 0.0011 Å
• c: 11.677 ± 0.003 Å
• α: 90°
• β: 92.09 ± 0.02°
• γ: 90°
• Cell volume: 560.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0525
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for all reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.0641
• Goodness-of-fit parameter for all reflections: 1.065
• Goodness-of-fit parameter for significantly intense reflections: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No