Information card for entry 2200821

Structure parameters

• Chemical name: 4^'^-{[benzoyl(4-nitrophenylhydrazono)methyl]sulfonyl}acetanilide
• Formula: C22 H18 N4 O6 S
• Calculated formula: C22 H18 N4 O6 S
• SMILES: S(=O)(=O)(/C(=N\Nc1ccc(N(=O)=O)cc1)C(=O)c1ccccc1)c1ccc(NC(=O)C)cc1
• Title of publication: 4'-{[Benzoyl(4-nitrophenylhydrazono)methyl]sulfonyl}acetanilide
• Authors of publication: Wojciech M. Wolf
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: o1 - o4
• a: 7.461 ± 0.001 Å
• b: 11.663 ± 0.002 Å
• c: 24.621 ± 0.005 Å
• α: 94.31 ± 0.03°
• β: 90.88 ± 0.03°
• γ: 94.01 ± 0.03°
• Cell volume: 2130.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1331
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes