Information card for entry 2312070

Structure parameters

• Common name: 4-Bromo-<i>N</i>-(4-bromobenzylidene)aniline
• Chemical name: (<i>E</i>)-<i>N</i>,1-Bis(4-bromophenyl)methanimine
• Formula: C13 H9 Br2 N
• Calculated formula: C13 H9 Br2 N
• Title of publication: Synthesis, crystal structure and Hirshfeld surface analysis of the ortho-rhom-bic polymorph of 4-bromo-<i>N</i>-(4-bromo-benzyl-idene)aniline.
• Authors of publication: Subashini, A.; Ramamurthi, K.; Ramesh Babu, R.; Philip, Reji; Stoeckli-Evans, Helen
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 3
• Pages of publication: 146 - 150
• a: 27.4096 ± 0.0019 Å
• b: 7.3301 ± 0.0005 Å
• c: 5.9135 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1188.11 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes