Information card for entry 2222165

Structure parameters

• Chemical name: 4-[2-(1-Acetyl-2-oxopropylidene)hydrazino]-<i>N</i>-(pyrimidin-2- yl)benzenesulfonamide
• Formula: C15 H15 N5 O4 S
• Calculated formula: C15 H15 N5 O4 S
• SMILES: c1(ccc(cc1)N/N=C(/C(=O)C)C(=O)C)S(=O)(=O)Nc1ncccn1
• Title of publication: 4-[2-(1-Acetyl-2-oxopropylidene)hydrazino]-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamide
• Authors of publication: Rai, Priyanka; Upadhyay, Shalini; Nethaji, M.; Upadhyay, K. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1397
• a: 11.354 ± 0.003 Å
• b: 5.7875 ± 0.0013 Å
• c: 25.974 ± 0.006 Å
• α: 90°
• β: 101.877 ± 0.004°
• γ: 90°
• Cell volume: 1670.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes