Information card for entry 2223468

Structure parameters

• Chemical name: Ethyl 3-oxo-2-[(4-sulfamoylphenyl)hydrazono]butyrate
• Formula: C12 H15 N3 O5 S
• Calculated formula: C12 H15 N3 O5 S
• SMILES: c1(ccc(cc1)S(=O)(=O)N)N/N=C(C(=O)C)\C(=O)OCC
• Title of publication: Ethyl 3-oxo-2-[(4-sulfamoylphenyl)hydrazono]butyrate
• Authors of publication: Upadhyay, K. K.; Rai, Priyanka; Upadhyay, Shalini; Nethaji, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2499
• a: 7.49 ± 0.006 Å
• b: 14.819 ± 0.012 Å
• c: 12.689 ± 0.01 Å
• α: 90°
• β: 95.219 ± 0.014°
• γ: 90°
• Cell volume: 1402.6 ± 1.9 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: 0.1118
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.186
• Weighted residual factors for all reflections included in the refinement: 0.2222
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes