Information card for entry 4519417

Structure parameters

• Formula: C15 H15 N O
• Calculated formula: C15 H15 N O
• Title of publication: Therapeutical Potential of Imines; Synthesis, Single Crystal Structure, Computational, Molecular Modeling, and ADMET Evaluation
• Authors of publication: Tatlidil, Digdem; Raza, Muhammad Asam; Dege, Necmi; Agar, Aysen Alaman; Farwa, Umme; Rehman, Shafiq Ur
• Journal of publication: ACS Omega
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 10568 - 10579
• a: 7.6501 ± 0.0006 Å
• b: 12.0632 ± 0.001 Å
• c: 13.6914 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1263.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No