Information card for entry 4508441

Structure parameters

• Chemical name: (E)-bis(2-bromophenyl)diazene
• Formula: C12 H8 Br2 N2
• Calculated formula: C12 H8 Br2 N2
• SMILES: c1cc(c(cc1)/N=N/c1ccccc1Br)Br
• Title of publication: Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes
• Authors of publication: Karanam, Maheswararao; Choudhury, Angshuman Roy
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 4803
• a: 21.7149 ± 0.001 Å
• b: 3.9697 ± 0.0002 Å
• c: 13.7591 ± 0.0007 Å
• α: 90°
• β: 105.101 ± 0.003°
• γ: 90°
• Cell volume: 1145.1 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No