Information card for entry 2202378

Structure parameters

• Chemical name: 2-(3-Pyridylmethyliminomethyl)-4-bromophenol
• Formula: C13 H11 Br N2 O
• Calculated formula: C13 H11 Br N2 O
• SMILES: Brc1ccc(O)c(c1)/C=N/Cc1ncccc1
• Title of publication: 4-Bromo-2-(2-pyridylmethyliminomethyl)phenol
• Authors of publication: Zhang, Yiqun; Khoo, Lian Ee; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: o1496 - o1497
• a: 4.474 ± 0.001 Å
• b: 9.529 ± 0.002 Å
• c: 14.271 ± 0.002 Å
• α: 92.65 ± 0.01°
• β: 93.72 ± 0.01°
• γ: 95.16 ± 0.02°
• Cell volume: 603.8 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No