Information card for entry 2227242

Structure parameters

• Chemical name: 2-Bromo-4-chloro-6-[(<i>E</i>)-<i>o</i>-tolyliminomethyl]phenol
• Formula: C14 H11 Br Cl N O
• Calculated formula: C14 H11 Br Cl N O
• SMILES: Brc1c(O)c(/C=N/c2c(cccc2)C)cc(Cl)c1
• Title of publication: 2-Bromo-4-chloro-6-[(<i>E</i>)-<i>o</i>-tolyliminomethyl]phenol
• Authors of publication: Guo, Jin-Bao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2689
• a: 7.5388 ± 0.0009 Å
• b: 12.2452 ± 0.0011 Å
• c: 14.244 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1314.9 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes