Information card for entry 2243501

Structure parameters

• Chemical name: (<i>E</i>)-2-{[(3-Chloro-4-methylphenyl)imino]methyl}-4-methylphenol
• Formula: C15 H14 Cl N O
• Calculated formula: C15 H14 Cl N O
• SMILES: Clc1cc(/N=C/c2cc(ccc2O)C)ccc1C
• Title of publication: Crystal structure, Hirshfeld surface analysis and DFT studies of (<i>E</i>)-2-{[(3-chloro-4-methylphenyl)imino]methyl}-4-methylphenol
• Authors of publication: Faizi, Md. Serajul Haque; Cinar, Emine Berrin; Aydin, Alev Sema; Agar, Erbil; Dege, Necmi; Mashrai, Ashraf
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 8
• Pages of publication: 1320 - 1324
• a: 8.0534 ± 0.0005 Å
• b: 6.3764 ± 0.0003 Å
• c: 25.3657 ± 0.0016 Å
• α: 90°
• β: 96.392 ± 0.005°
• γ: 90°
• Cell volume: 1294.47 ± 0.13 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes