Information card for entry 2021328

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-{2-[2-(4-Methoxybenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide
• Formula: C17 H19 N3 O4 S
• Calculated formula: C17 H19 N3 O4 S
• SMILES: S(=O)(=O)(NCC(=O)N/N=C/c1ccc(OC)cc1)c1ccc(cc1)C
• Title of publication: Comparison of the crystal structures and Hirshfeld surface analysis of five <i>N</i>-(4-methylbenzenesulfonyl)glycine hydrazone derivatives
• Authors of publication: Purandara, H.; Foro, Sabine; Thimme Gowda, B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 11
• Pages of publication: 1553 - 1560
• a: 6.8887 ± 0.0008 Å
• b: 10.778 ± 0.001 Å
• c: 12.411 ± 0.002 Å
• α: 95.26 ± 0.01°
• β: 93.43 ± 0.01°
• γ: 104.82 ± 0.01°
• Cell volume: 883.7 ± 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: 0.0556
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes