Information card for entry 2224754

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-[4-(Methylsulfonyl)benzylidene]aniline
• Formula: C14 H13 N O2 S
• Calculated formula: C14 H13 N O2 S
• SMILES: S(=O)(=O)(c1ccc(/C=N/c2ccccc2)cc1)C
• Title of publication: (<i>E</i>)-<i>N</i>-[4-(Methylsulfonyl)benzylidene]aniline
• Authors of publication: Qian, Shao-Song; Liu, Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o18
• a: 8.207 ± 0.0016 Å
• b: 5.775 ± 0.0012 Å
• c: 26.945 ± 0.005 Å
• α: 90°
• β: 94.72 ± 0.03°
• γ: 90°
• Cell volume: 1272.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0936
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes