Information card for entry 2021324

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-{2-[2-(Benzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide
• Formula: C16 H17 N3 O3 S
• Calculated formula: C16 H17 N3 O3 S
• SMILES: c1(ccc(cc1)C)S(=O)(=O)NCC(=O)N/N=C/c1ccccc1
• 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: 20.764 ± 0.002 Å
• b: 6.6904 ± 0.0006 Å
• c: 24.174 ± 0.003 Å
• α: 90°
• β: 97.1 ± 0.01°
• γ: 90°
• Cell volume: 3332.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1202
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes