Information card for entry 2212199

Structure parameters

• Chemical name: 4-Bromo-2-(1-naphthyliminomethyl)phenol
• Formula: C17 H12 Br N O
• Calculated formula: C17 H12 Br N O
• SMILES: Brc1ccc(O)c(/C=N/c2cccc3ccccc23)c1
• Title of publication: 4-Bromo-2-(1-naphthyliminomethyl)phenol
• Authors of publication: Xi-Shi Tai; Jie Yin; Yi-Min Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o699 - o700
• a: 25.467 ± 0.007 Å
• b: 4.3831 ± 0.0013 Å
• c: 12.587 ± 0.004 Å
• α: 90°
• β: 90.238 ± 0.005°
• γ: 90°
• Cell volume: 1405 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1064
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes