Information card for entry 2007752

Structure parameters

• Formula: C16 H14 Br N O2
• Calculated formula: C16 H14 Br N O2
• SMILES: Cc1ccc(c(c1)Br)/N=C/c1cc(cc(c1O)C=O)C
• Title of publication: 3-[(2-Bromo-4-methylphenyl)iminomethyl]-2-hydroxy-5-methylbenzaldehyde
• Authors of publication: Elmali, Ayhan; Elerman, Yalc̨in; Svoboda, Ingrid
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1464 - 1466
• a: 19.735 ± 0.003 Å
• b: 4.6 ± 0.003 Å
• c: 15.654 ± 0.002 Å
• α: 90°
• β: 104.22 ± 0.02°
• γ: 90°
• Cell volume: 1377.5 ± 0.9 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 2 K
• Number of distinct elements: 5
• 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: 0.124
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.098
• Weighted residual factors for significantly intense reflections: 0.077
• Goodness-of-fit parameter for all reflections: 0.989
• Goodness-of-fit parameter for significantly intense reflections: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No