Information card for entry 2240795

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-{2-[2-(4-Methylbenzylidene)hydrazin-1-yl]-2-oxoethyl}-<i>p</i>-toluenesulfonamide
• Formula: C17 H19 N3 O3 S
• Calculated formula: C17 H19 N3 O3 S
• SMILES: S(=O)(=O)(NCC(=O)N/N=C/c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Crystal structure of (<i>E</i>)-<i>N</i>-{2-[2-(4-methylbenzylidene)hydrazin-1-yl]-2-oxoethyl}-<i>p</i>-toluenesulfonamide
• Authors of publication: Purandara, H.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: 730 - 733
• a: 11.2595 ± 0.0007 Å
• b: 11.2697 ± 0.0009 Å
• c: 14.538 ± 0.001 Å
• α: 70.562 ± 0.006°
• β: 87.33 ± 0.007°
• γ: 82.262 ± 0.006°
• Cell volume: 1723.8 ± 0.2 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: 0.0679
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes