Information card for entry 2021327

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-(2-{2-[4-(Dimethylamino)benzylidene]hydrazinyl}-2-oxoethyl)-4-methylbenzene-sulfonamide
• Formula: C18 H22 N4 O3 S
• Calculated formula: C18 H22 N4 O3 S
• SMILES: c1(ccc(cc1)C)S(=O)(=O)NCC(=O)N/N=C/c1ccc(cc1)N(C)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: 6.931 ± 0.001 Å
• b: 11.076 ± 0.002 Å
• c: 12.935 ± 0.003 Å
• α: 87.37 ± 0.02°
• β: 81.44 ± 0.02°
• γ: 74.42 ± 0.02°
• Cell volume: 945.8 ± 0.3 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: 0.1799
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes