Information card for entry 2240768

Structure parameters

• Chemical name: 4-Chloro-2-{(<i>E</i>)-[(3,4-dimethylphenyl)imino]methyl}phenol
• Formula: C15 H14 Cl N O
• Calculated formula: C15 H14 Cl N O
• SMILES: Clc1cc(c(O)cc1)/C=N/c1cc(c(cc1)C)C
• Title of publication: Crystal structure of 4-chloro-2-{(<i>E</i>)-[(3,4-dimethylphenyl)imino]methyl}phenol
• Authors of publication: Salim, Muhammad; Tahir, Muhammad Nawaz; Munawar, Munawar Ali; Shahid, Muhammad; Shad, Hazoor Ahmad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: o416
• a: 12.1875 ± 0.001 Å
• b: 7.4438 ± 0.0005 Å
• c: 14.3141 ± 0.0012 Å
• α: 90°
• β: 101.549 ± 0.004°
• γ: 90°
• Cell volume: 1272.3 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0705
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes