Information card for entry 2243839

Structure parameters

• Chemical name: (<i>E</i>)-2-{[(<i>E</i>)-2-Hydroxy-5-methylbenzylidene]hydrazinylidene}-1,2-diphenylethan-1-one
• Formula: C22 H18 N2 O2
• Calculated formula: C22 H18 N2 O2
• SMILES: N(/N=C(/c1ccccc1)C(=O)c1ccccc1)=C\c1cc(ccc1O)C
• Title of publication: Crystal structure and molecular docking study of (<i>E</i>)-2-{[(<i>E</i>)-2-hydroxy-5-methylbenzylidene]hydrazinylidene}-1,2-diphenylethan-1-one
• Authors of publication: Kansiz, Sevgi; Tatlidil, Digdem; Dege, Necmi; Aktas, Feyzi Alkim; Al-Asbahy, Samir Osman Mohammed; Alaman Agar, Aysen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 6
• Pages of publication: 658 - 662
• a: 7.4089 ± 0.0006 Å
• b: 11.4544 ± 0.0014 Å
• c: 21.9491 ± 0.0017 Å
• α: 90°
• β: 97.814 ± 0.006°
• γ: 90°
• Cell volume: 1845.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.13
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.2593
• Weighted residual factors for all reflections included in the refinement: 0.2869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes