Information card for entry 2020984

Structure parameters

• Common name: <i>N</i>-(2-Ethylphenyl)-2-phthalimidoethanesulfonamide monohydrate
• Formula: C18 H20 N2 O5 S
• Calculated formula: C18 H20 N2 O5 S
• SMILES: S(=O)(=O)(Nc1ccccc1CC)CCN1C(=O)c2c(C1=O)cccc2.O
• 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: 15.356 ± 0.003 Å
• b: 7.4014 ± 0.0005 Å
• c: 25.061 ± 0.005 Å
• α: 90°
• β: 141.36 ± 0.04°
• γ: 90°
• Cell volume: 1778.6 ± 1.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1442
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No