Information card for entry 2311477

Structure parameters

• Chemical name: (<i>E</i>)-4-Methyl-<i>N</i>-{2-[2-(4-nitrobenzylidene)hydrazin-1-yl]-2-oxoethyl}benzenesulfonamide <i>N</i>,<i>N</i>-dimethylformamide monosolvate
• Formula: C19 H23 N5 O6 S
• Calculated formula: C19 H23 N5 O6 S
• SMILES: c1(ccc(cc1)C)S(=O)(=O)NCC(=O)N/N=C/c1ccc(cc1)N(=O)=O.C(=O)N(C)C
• Title of publication: Crystal structure of (<i>E</i>)-4-methyl-<i>N</i>-{2-[2-(4-nitro-benzyl-idene)hydrazin-1-yl]-2-oxoeth-yl}benzene-sulfonamide <i>N</i>,<i>N</i>-di-methyl-formamide monosolvate.
• Authors of publication: Purandara, H.; Foro, Sabine; Thimme Gowda, B.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 11
• Pages of publication: 1683 - 1686
• a: 8.3515 ± 0.0009 Å
• b: 10.5778 ± 0.0009 Å
• c: 13.673 ± 0.001 Å
• α: 107.609 ± 0.007°
• β: 98.954 ± 0.008°
• γ: 106.505 ± 0.008°
• Cell volume: 1064.57 ± 0.19 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: 0.0495
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No