Information card for entry 2233264

Structure parameters

• Chemical name: (<i>E</i>)-4-Chloro-<i>N</i>-[4-(methylsulfonyl)benzylidene]aniline
• Formula: C14 H12 Cl N O2 S
• Calculated formula: C14 H12 Cl N O2 S
• SMILES: Clc1ccc(/N=C/c2ccc(S(=O)(=O)C)cc2)cc1
• Title of publication: (<i>E</i>)-4-Chloro-<i>N</i>-[4-(methylsulfonyl)benzylidene]aniline
• Authors of publication: Chen, Yue-Hu; Wang, Fang; Li, Guo-Qiang; Qian, Shao-Song
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o166
• a: 8.6206 ± 0.001 Å
• b: 8.8748 ± 0.001 Å
• c: 17.799 ± 0.002 Å
• α: 90°
• β: 94.972 ± 0.001°
• γ: 90°
• Cell volume: 1356.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes