Information card for entry 4519352

Structure parameters

• Chemical name: (E)-4-(((2,4-dimethylphenyl)imino)methyl)phenol
• Formula: C15 H15 N O
• Calculated formula: C15 H15 N O
• Title of publication: Shedding Light on the Synthesis, Crystal Structure, Characterization, and Computational Study of Optoelectronic Properties and Bioactivity of Imine derivatives.
• Authors of publication: Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Muhammad, Shabbir; Munawar, Khurram Shahzad; Ali, Saqib; Ahmed, Gulzar; Al-Sehemi, Abdullah G; Alarfaji, Saleh S.; Ibraheem Khan, Muhammad Ehtisham
• Journal of publication: ACS omega
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 5217 - 5230
• a: 10.631 ± 0.002 Å
• b: 13.873 ± 0.003 Å
• c: 8.6997 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1283.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1173
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No