Information card for entry 2227394

Structure parameters

• Chemical name: 2-[(4-Chlorobenzyl)iminomethyl]phenol
• Formula: C14 H12 Cl N O
• Calculated formula: C14 H12 Cl N O
• SMILES: c1cccc(c1/C=N/Cc1ccc(cc1)Cl)O
• Title of publication: 2-[(4-Chlorobenzyl)iminomethyl]phenol
• Authors of publication: Phurat, Chuttree; Teerawatananond, Thapong; Muangsin, Nongnuj
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2310
• a: 6.2876 ± 0.0002 Å
• b: 12.2267 ± 0.0003 Å
• c: 16.2664 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1250.51 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes