Information card for entry 2231206

Structure parameters

• Chemical name: 2-[(<i>E</i>)-(2,4,6-Trichlorophenyl)iminomethyl]phenol
• Formula: C13 H8 Cl3 N O
• Calculated formula: C13 H8 Cl3 N O
• SMILES: Clc1cc(Cl)c(Cl)cc1/N=C/c1ccccc1O
• Title of publication: 2-[(<i>E</i>)-(2,4,6-Trichlorophenyl)iminomethyl]phenol
• Authors of publication: Fun, Hoong-Kun; Quah, Ching Kheng; Viveka, S.; Madhukumar, D. J.; Nagaraja, G. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1934
• a: 12.8847 ± 0.0016 Å
• b: 6.9505 ± 0.0009 Å
• c: 14.4265 ± 0.0018 Å
• α: 90°
• β: 96.612 ± 0.002°
• γ: 90°
• Cell volume: 1283.4 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• 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: 0.07
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes