Information card for entry 2232580

Structure parameters

• Common name: N-bromotertiarybutylsalicylidene-2-aminopyridine
• Chemical name: 3-Bromo-5-<i>tert</i>-butyl-2-hydroxybenzaldehyde
• Formula: C11 H13 Br O2
• Calculated formula: C11 H13 Br O2
• SMILES: c1(c(c(cc(c1)C(C)(C)C)Br)O)C=O
• Title of publication: 3-Bromo-5-<i>tert</i>-butyl-2-hydroxybenzaldehyde
• Authors of publication: Balasubramani, V.; Vinuchakkaravarthy, T.; Gopi, Sreeraj; Narasimhan, S.; Velmurugan, D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3375
• a: 9.9727 ± 0.0019 Å
• b: 12.174 ± 0.002 Å
• c: 18.558 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2253.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1268
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes