Information card for entry 2220803

Structure parameters

• Chemical name: (<i>E</i>)-2-[(2-Amino-4,5-dibromophenyl)iminomethyl]-6-methoxyphenol
• Formula: C14 H12 Br2 N2 O2
• Calculated formula: C14 H12 Br2 N2 O2
• SMILES: Brc1cc(c(/N=C/c2cccc(OC)c2O)cc1Br)N
• Title of publication: (<i>E</i>)-2-[(2-Amino-4,5-dibromophenyl)iminomethyl]-6-methoxyphenol
• Authors of publication: Li, Zhan-Xian; Yang, Hui; Yu, Ming; Shi, Qiu-Zhi; Yu, Ming-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o241
• a: 6.95 ± 0.0004 Å
• b: 7.4383 ± 0.0004 Å
• c: 14.7877 ± 0.001 Å
• α: 100.351 ± 0.005°
• β: 97.218 ± 0.005°
• γ: 109.967 ± 0.003°
• Cell volume: 692.21 ± 0.08 ų
• Cell temperature: 292 ± 3 K
• Ambient diffraction temperature: 292 ± 3 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: 0.0319
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes