Information card for entry 2216651

Structure parameters

• Chemical name: [(4-Chlorophenyl)iminomethyl]phenol
• Formula: C13 H10 Cl N O
• Calculated formula: C13 H10 Cl N O
• SMILES: Clc1ccc(/N=C/c2ccc(O)cc2)cc1
• Title of publication: [(4-Chlorophenyl)iminomethyl]phenol
• Authors of publication: Leela Sundararaman; Ramamurthi Kandasamy; Stoeckli-Evans, Helen; Vasuki Gopalsamy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4805 - o4805
• a: 21.3211 ± 0.0018 Å
• b: 11.0697 ± 0.001 Å
• c: 9.2754 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2189.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes