Information card for entry 8106331

Structure parameters

• Formula: C14 H12 Br Cl N2 O
• Calculated formula: C14 H12 Br Cl N2 O
• Title of publication: Crystal structure of (E)-2-(1-((2-aminophenyl)imino)ethyl)-6-bromo-4-chlorophenol, C14H12BrClN2O
• Authors of publication: Hong, Yong; Liu, Wei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 5
• Pages of publication: 881 - 882
• a: 3.9454 ± 0.001 Å
• b: 24.189 ± 0.006 Å
• c: 13.728 ± 0.003 Å
• α: 90°
• β: 90.07°
• γ: 90°
• Cell volume: 1310.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0834
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No