Information card for entry 2020982

Structure parameters

• Chemical name: <i>N</i>-(4-Nitrophenyl)-2-phthalimidoethanesulfonamide
• Formula: C16 H13 N3 O6 S
• Calculated formula: C16 H13 N3 O6 S
• SMILES: S(=O)(=O)(Nc1ccc(N(=O)=O)cc1)CCN1C(=O)c2c(C1=O)cccc2
• Title of publication: Substituent position effect on the crystal structures of <i>N</i>-phenyl-2-phthalimidoethanesulfonamide derivatives
• Authors of publication: Sevinçek, Resul; Barut Celepci, Duygu; Köktaş Koca, Serap; Akgül, Özlem; Aygün, Muittin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 1
• Pages of publication: 31 - 36
• a: 7.1547 ± 0.0006 Å
• b: 10.4322 ± 0.0013 Å
• c: 11.8228 ± 0.0016 Å
• α: 100.106 ± 0.011°
• β: 104.043 ± 0.01°
• γ: 102.278 ± 0.009°
• Cell volume: 812.14 ± 0.18 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: 0.0708
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No