Information card for entry 2020098

Structure parameters

• Chemical name: <i>N</i>-(3-chlorophenyl)-2-phthalimidoethanesulfonamide
• Formula: C16 H13 Cl N2 O4 S
• Calculated formula: C16 H13 Cl N2 O4 S
• SMILES: Clc1cccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c1
• Title of publication: Positional isomeric effect on the crystallization of chlorine-substituted <i>N</i>-phenyl-2-phthalimidoethanesulfonamide derivatives
• Authors of publication: Köktaş Koca, Serap; Sevinçek, Resul; Akgül, Özlem; Aygün, Muhittin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• Pages of publication: 839 - 843
• a: 5.5652 ± 0.0002 Å
• b: 25.5022 ± 0.0012 Å
• c: 11.5536 ± 0.0005 Å
• α: 90°
• β: 97.8 ± 0.004°
• γ: 90°
• Cell volume: 1624.57 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0563
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1009
• 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