Information card for entry 2242792

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-[Ethane-1,2-diylbis(oxy)]bis(4-methylbenzenesulfonamide)
• Formula: C16 H20 N2 O6 S2
• Calculated formula: C16 H20 N2 O6 S2
• SMILES: S(=O)(=O)(NOCCONS(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Crystal structure and Hirshfeld surface analysis of <i>N</i>,<i>N</i>'-[ethane-1,2-diylbis(oxy)]bis(4-methylbenzenesulfonamide)
• Authors of publication: Meral, Seher; Kansiz, Sevgi; Dege, Necmi; Alaman Agar, Aysen; Tsapyuk, Galyna G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 1
• Pages of publication: 81 - 85
• a: 16.3393 ± 0.0018 Å
• b: 13.4977 ± 0.0019 Å
• c: 9.7461 ± 0.0011 Å
• α: 90°
• β: 113.442 ± 0.008°
• γ: 90°
• Cell volume: 1972 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes