Information card for entry 8105409

Structure parameters

• Formula: C23 H19 F2 N O2 S
• Calculated formula: C23 H19 F2 N O2 S
• SMILES: S(=O)(=O)(/N=C(\C=C(\c1ccc(F)cc1)C)c1ccc(F)cc1)c1ccc(cc1)C
• Title of publication: The crystal structure of N-((1E,2E)-1,3-bis(4-fluorophenyl)but-2-en-1-ylidene)-4-methylbenzenesulfonamide, C23H19F2NO2S
• Authors of publication: Lang, Tianqiong; Ye, Jianghai; Zou, Taishuang; Tian, Xiaolong; Zhao, Nengwu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 5
• Pages of publication: 1163 - 1165
• a: 13.8754 ± 0.0008 Å
• b: 7.7354 ± 0.0005 Å
• c: 18.4616 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1981.5 ± 0.2 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No