Information card for entry 2243441

Structure parameters

• Chemical name: (<i>E</i>)-4-Methyl-2-{[(4-methylphenyl)imino]methyl}phenol
• Formula: C15 H15 N O
• Calculated formula: C15 H15 N O
• SMILES: Oc1c(cc(cc1)C)/C=N/c1ccc(cc1)C
• Title of publication: Crystal structure, Hirshfeld surface analysis and DFT studies of (<i>E</i>)-4-methyl-2-{[(4-methylphenyl)imino]methyl}phenol
• Authors of publication: Yagci, Nermin Kahveci; Faizi, Md. Serajul Haque; Aydin, Alev Sema; Dege, Necmi; Dogan, Onur Erman; Agar, Erbil; Mashrai, Ashraf
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 7
• Pages of publication: 1075 - 1079
• a: 13.8433 ± 0.001 Å
• b: 7.0774 ± 0.0006 Å
• c: 6.2142 ± 0.0005 Å
• α: 90°
• β: 95.517 ± 0.006°
• γ: 90°
• Cell volume: 606.01 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1139
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1781
• Weighted residual factors for all reflections included in the refinement: 0.1985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes