Information card for entry 8102823

Structure parameters

• Chemical name: 4-chloro-2-[(2,4-dimethyl-phenylimino)-methyl]-phenol, C~15~H~14~ClNO
• Formula: C15 H14 Cl N O
• Calculated formula: C15 H14 Cl N O
• SMILES: Clc1ccc(O)c(/C=N/c2c(cc(cc2)C)C)c1
• Title of publication: Crystal structure of 4-chloro-2-[(2,4-dimethylphenylimino)methyl]phenol, C15H14ClNO
• Authors of publication: Xin-Li Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 4
• Pages of publication: 669
• a: 4.7074 ± 0.0006 Å
• b: 19.9254 ± 0.0017 Å
• c: 13.8631 ± 0.0012 Å
• α: 90°
• β: 95.26 ± 0.001°
• γ: 90°
• Cell volume: 1294.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No