Information card for entry 2235143

Structure parameters

• Chemical name: <i>N</i>-(4-Bromobenzylidene)naphthalen-1-amine
• Formula: C17 H12 Br N
• Calculated formula: C17 H12 Br N
• SMILES: Brc1ccc(/C=N/c2cccc3c2cccc3)cc1
• Title of publication: <i>N</i>-(4-Bromobenzylidene)naphthalen-1-amine
• Authors of publication: Zhu, Ruitao; Ren, Yuehong; Zhang, Yuewen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1671
• a: 7.0823 ± 0.0006 Å
• b: 25.555 ± 0.002 Å
• c: 7.5712 ± 0.0005 Å
• α: 90°
• β: 94.431 ± 0.001°
• γ: 90°
• Cell volume: 1366.2 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0718
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes