Information card for entry 2219854

Structure parameters

• Chemical name: 2-Bromo-4-chloro-6-[(1-phenylethyl)iminomethyl]phenol
• Formula: C15 H13 Br Cl N O
• Calculated formula: C15 H13 Br Cl N O
• SMILES: Brc1c(O)c(/C=N/C(C)c2ccccc2)cc(Cl)c1
• Title of publication: 2-Bromo-4-chloro-6-[(1-phenylethyl)iminomethyl]phenol
• Authors of publication: Zhang, Xinli
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2084
• a: 21.764 ± 0.002 Å
• b: 9.5088 ± 0.0013 Å
• c: 15.3591 ± 0.0016 Å
• α: 90°
• β: 113.426 ± 0.002°
• γ: 90°
• Cell volume: 2916.6 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes