Information card for entry 2241082

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(3,4-Difluorobenzylidene)-4-methylbenzenesulfonohydrazide
• Formula: C14 H12 F2 N2 O2 S
• Calculated formula: C14 H12 F2 N2 O2 S
• SMILES: S(=O)(=O)(N/N=C/c1cc(F)c(F)cc1)c1ccc(cc1)C
• Title of publication: Crystal structure of (<i>E</i>)-<i>N</i>'-(3,4-difluorobenzylidene)-4-methylbenzenesulfonohydrazide
• Authors of publication: Wang, Yeming; Yan, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: o761
• a: 5.3161 ± 0.0011 Å
• b: 15.388 ± 0.003 Å
• c: 17.293 ± 0.004 Å
• α: 90°
• β: 97.44 ± 0.03°
• γ: 90°
• Cell volume: 1402.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0478
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes