Information card for entry 2233996

Structure parameters

• Chemical name: 4-Bromo-<i>N</i>-(4-hydroxybenzylidene)aniline
• Formula: C13 H10 Br N O
• Calculated formula: C13 H10 Br N O
• SMILES: c1(ccc(cc1)/C=N/c1ccc(cc1)Br)O
• Title of publication: 4-Bromo-<i>N</i>-(4-hydroxybenzylidene)aniline
• Authors of publication: Jothi, L.; Vasuki, G.; Babu, R. Ramesh; Ramamurthi, K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o772
• a: 21.9588 ± 0.001 Å
• b: 11.0866 ± 0.0005 Å
• c: 9.3132 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2267.28 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes