Information card for entry 2223680

Structure parameters

• Chemical name: 2-Bromo-4-chloro-6-(cyclopentyliminomethyl)phenol
• Formula: C12 H13 Br Cl N O
• Calculated formula: C12 H13 Br Cl N O
• SMILES: Clc1cc(/C=N/C2CCCC2)c(c(c1)Br)O
• Title of publication: 2-Bromo-4-chloro-6-(cyclopentyliminomethyl)phenol
• Authors of publication: Hao, Yu-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2600
• a: 12.142 ± 0.002 Å
• b: 6.861 ± 0.0014 Å
• c: 15.077 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1256 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes