Information card for entry 2210441

Structure parameters

• Chemical name: N-(4-Bromobenzylidene)-2-hydroxyaniline
• Formula: C13 H10 Br N O
• Calculated formula: C13 H10 Br N O
• SMILES: Brc1ccc(/C=N/c2c(O)cccc2)cc1
• Title of publication: <i>N</i>-(4-Bromobenzylidene)-2-hydroxyaniline
• Authors of publication: Jiao, Yuan-Hong; Zhang, Qian; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3614 - o3615
• a: 13.389 ± 0.001 Å
• b: 5.8745 ± 0.0005 Å
• c: 14.902 ± 0.001 Å
• α: 90°
• β: 102.457 ± 0.001°
• γ: 90°
• Cell volume: 1144.5 ± 0.15 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes