Information card for entry 2016468

Structure parameters

• Chemical name: 4-(4-Bromobenzylidenehydrazono)benzonitrile
• Formula: C15 H10 Br N3
• Calculated formula: C15 H10 Br N3
• Title of publication: 4-(4-Chlorobenzylidenehydrazonomethyl)benzonitrile and the bromo and iodo analogs
• Authors of publication: Ojala, Charles R.; Ojala, William H.; Britton, Doyle
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o37 - o40
• a: 4.6963 ± 0.0012 Å
• b: 6.0023 ± 0.0015 Å
• c: 11.585 ± 0.003 Å
• α: 99.493 ± 0.01°
• β: 93.767 ± 0.01°
• γ: 96.629 ± 0.009°
• Cell volume: 318.74 ± 0.14 ų
• Cell temperature: 174 ± 2 K
• Ambient diffraction temperature: 174 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes