Information card for entry 2240390

Structure parameters

• Chemical name: (<i>E</i>)-1-[4-({4-[(4-Methoxybenzylidene)amino]phenyl}sulfanyl)phenyl]ethan-1-one
• Formula: C22 H19 N O2 S
• Calculated formula: C22 H19 N O2 S
• SMILES: S(c1ccc(/N=C/c2ccc(OC)cc2)cc1)c1ccc(cc1)C(=O)C
• Title of publication: Crystal structure of (<i>E</i>)-1-[4-({4-[(4-methoxybenzylidene)amino]phenyl}sulfanyl)phenyl]ethan-1-one
• Authors of publication: Hebbachi, Rabihe; Djedouani, Amel; Kadri, Soumia; Mousser, Hénia; Mousser, Abdelhamid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: o109 - o110
• a: 5.7708 ± 0.0002 Å
• b: 8.0867 ± 0.0003 Å
• c: 19.6929 ± 0.0008 Å
• α: 81.844 ± 0.002°
• β: 86.664 ± 0.003°
• γ: 85.662 ± 0.003°
• Cell volume: 906.05 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes