Information card for entry 2218737

Structure parameters

• Chemical name: 2-Bromo-4-chloro-6-(4-fluorophenyliminomethyl)phenol
• Formula: C13 H8 Br Cl F N O
• Calculated formula: C13 H8 Br Cl F N O
• SMILES: c1(ccc(cc1)/N=C/c1c(c(cc(c1)Cl)Br)O)F
• Title of publication: 2-Bromo-4-chloro-6-(4-fluorophenyliminomethyl)phenol
• Authors of publication: Puthilibai, G.; Vasudhevan, S.; Rajagopal, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1333
• a: 8.2274 ± 0.0003 Å
• b: 8.6566 ± 0.0003 Å
• c: 10.888 ± 0.0004 Å
• α: 69.545 ± 0.002°
• β: 70.82 ± 0.002°
• γ: 62.341 ± 0.002°
• Cell volume: 630.48 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes