Information card for entry 2215235

Structure parameters

• Chemical name: 2,4-Dibromo-6-(cyclopropyliminomethyl)phenol
• Formula: C10 H9 Br2 N O
• Calculated formula: C10 H9 Br2 N O
• SMILES: Brc1c(O)c(cc(Br)c1)/C=N/C1CC1
• Title of publication: 2,4-Dibromo-6-(cyclopropyliminomethyl)phenol
• Authors of publication: De-Suo Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3737 - o3737
• a: 9.184 ± 0.0018 Å
• b: 11.495 ± 0.002 Å
• c: 12.265 ± 0.003 Å
• α: 70.85 ± 0.03°
• β: 68.62 ± 0.03°
• γ: 69.69 ± 0.03°
• Cell volume: 1100.2 ± 0.5 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: 0.0941
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes