Information card for entry 7220870

Structure parameters

• Chemical name: (1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene
• Formula: C14 H12 Br2 N2
• Calculated formula: C14 H12 Br2 N2
• Title of publication: Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes
• Authors of publication: Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 30
• Pages of publication: 5751
• a: 14.0837 ± 0.0018 Å
• b: 4.4538 ± 0.0006 Å
• c: 11.2236 ± 0.0014 Å
• α: 90°
• β: 99.2049 ± 0.0018°
• γ: 90°
• Cell volume: 694.95 ± 0.16 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0689
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0963
• 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: Yes
• Has Fobs: No