Information card for entry 2221727

Structure parameters

• Chemical name: 2-[(4-Chlorophenyl)iminomethyl]hydroquinone
• Formula: C13 H10 Cl N O2
• Calculated formula: C13 H10 Cl N O2
• SMILES: Clc1ccc(/N=C/c2cc(O)ccc2O)cc1
• Title of publication: 2-[(4-Chlorophenyl)iminomethyl]hydroquinone
• Authors of publication: Yazıcı, Serap; Erşahin, Ferda; Ağar, Erbil; Şenel, İsmet; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1155
• a: 20.3347 ± 0.0014 Å
• b: 4.5848 ± 0.0002 Å
• c: 12.0383 ± 0.0009 Å
• α: 90°
• β: 98.231 ± 0.006°
• γ: 90°
• Cell volume: 1110.78 ± 0.12 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: 0.0493
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes