Information card for entry 2229367

Structure parameters

• Chemical name: 4-[(1,3-Dioxo-2,3-dihydro-1<i>H</i>-benzo[<i>de</i>]isoquinolin-2-yl)methyl]- <i>N</i>'-[(<i>E</i>)-4-nitrobenzylidene]benzenesulfonohydrazide dimethyl sulfoxide monosolvate
• Formula: C28 H24 N4 O7 S2
• Calculated formula: C28 H24 N4 O7 S2
• SMILES: S(=O)(=O)(N/N=C/c1ccc(cc1)N(=O)=O)c1ccc(CN2C(=O)c3cccc4cccc(c34)C2=O)cc1.S(=O)(C)C
• Title of publication: 4-[(1,3-Dioxo-2,3-dihydro-1<i>H</i>-benzo[<i>de</i>]isoquinolin-2-yl)methyl]-<i>N</i>'-[(<i>E</i>)-4-nitrobenzylidene]benzenesulfonohydrazide dimethyl sulfoxide monosolvate
• Authors of publication: Bortoluzzi, Adailton J.; Policarpi, Everton B.; Mora, Cristiano; Oliveira, Kely N.; Nunes, Ricardo J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o627 - o628
• a: 9.152 ± 0.001 Å
• b: 11.971 ± 0.001 Å
• c: 13.91 ± 0.001 Å
• α: 107.268 ± 0.007°
• β: 101.789 ± 0.007°
• γ: 96.319 ± 0.008°
• Cell volume: 1400.6 ± 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: 0.1046
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes