Information card for entry 2311991

Structure parameters

• Common name: (Z)-2-((E)-(4-methoxybenzylidene)hydrazono)-1,2-diphenylethanone
• Chemical name: (<i>Z</i>)-2-[(<i>E</i>)-(4-Methoxybenzylidene)hydrazinylidene]-1,2-diphenylethanone
• Formula: C22 H18 N2 O2
• Calculated formula: C22 H18 N2 O2
• SMILES: c1cc(ccc1/C=N/N=C(/c1ccccc1)C(=O)c1ccccc1)OC
• Title of publication: Theoretical insight into the disordered structure of (Z)-2-[(E)-(4-methoxybenzylidene)hydrazinylidene]-1,2-diphenylethanone: the role of noncovalent interactions.
• Authors of publication: Tan, Xue Jie; Wang, Di; Lei, Xu Gang; Chen, Jun Peng
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2018
• Journal volume: 74
• Journal issue: Pt 9
• Pages of publication: 1058 - 1067
• a: 10.265 ± 0.0006 Å
• b: 8.0342 ± 0.0005 Å
• c: 23.4156 ± 0.0013 Å
• α: 90°
• β: 102.512 ± 0.006°
• γ: 90°
• Cell volume: 1885.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0672
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No