Information card for entry 2240825

Structure parameters

• Chemical name: (<i>E</i>)-1,2-bis(4-bromo-2,6-difluorophenyl)diazene
• Formula: C12 H4 Br2 F4 N2
• Calculated formula: C12 H4 Br2 F4 N2
• SMILES: c1(c(cc(cc1F)Br)F)/N=N/c1c(cc(cc1F)Br)F
• Title of publication: Crystal structure of (<i>E</i>)-1,2-bis(4-bromo-2,6-difluorophenyl)diazene
• Authors of publication: Broichhagen, Johannes; Woodmansee, David H.; Trauner, Dirk; Mayer, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• Pages of publication: o459 - o460
• a: 10.3274 ± 0.0005 Å
• b: 4.5667 ± 0.0002 Å
• c: 13.1039 ± 0.0006 Å
• α: 90°
• β: 90.34 ± 0.003°
• γ: 90°
• Cell volume: 618 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0444
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes