Information card for entry 2232872

Structure parameters

• Common name: Isatin-3-tosylhydrazone
• Chemical name: 4-Methyl-<i>N</i>'-(2-oxoindolin-3-ylidene)benzene-1-sulfonohydrazide
• Formula: C15 H13 N3 O3 S
• Calculated formula: C15 H13 N3 O3 S
• SMILES: Cc1ccc(cc1)S(=O)(=O)N/N=C1\C(=O)Nc2c1cccc2
• Title of publication: 4-Methyl-<i>N</i>'-(2-oxoindolin-3-ylidene)benzene-1-sulfonohydrazide
• Authors of publication: de Fonseca, Alexandra; Storino, Tomás Garcia; Carratu, Vanessa Santana; Locatelli, Aline; de Oliveira, Adriano Bof
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3256
• a: 14.905 ± 0.0003 Å
• b: 5.7849 ± 0.0001 Å
• c: 17.8112 ± 0.0003 Å
• α: 90°
• β: 110.427 ± 0.001°
• γ: 90°
• Cell volume: 1439.18 ± 0.05 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: 0.0594
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes