Information card for entry 2242399

Structure parameters

• Chemical name: (<i>E</i>)-4-Chloro-<i>N</i>-{2-[2-(4-nitrobenzylidene)hydrazin-1-yl]-2-oxoethyl}benzenesulfonamide <i>N</i>,<i>N</i>-dimethylformamide monosolvate
• Formula: C18 H20 Cl N5 O6 S
• Calculated formula: C18 H20 Cl N5 O6 S
• SMILES: Clc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccc(N(=O)=O)cc2)cc1.O=CN(C)C
• Title of publication: Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-4-chloro-<i>N</i>-{2-[2-(4-nitrobenzylidene)hydrazin-1-yl]-2-oxoethyl}benzenesulfonamide <i>N</i>,<i>N</i>-dimethylformamide monosolvate
• Authors of publication: Purandara, H.; Foro, S.; Thimme Gowda, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 3
• Pages of publication: 394 - 399
• a: 8.24 ± 0.001 Å
• b: 10.631 ± 0.001 Å
• c: 13.72 ± 0.002 Å
• α: 108.15 ± 0.01°
• β: 98.36 ± 0.01°
• γ: 105.07 ± 0.01°
• Cell volume: 1068.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1402
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.319
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes